ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane

C42H40F6N6O4S4 — CID 167489778

IUPACethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane
SMILESCC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccc2ccccc12.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccs1.S
InChIInChI=1S/C23H18F3N3O2S.C17H14F3N3O2S2.C2H6.H2S/c1-12(2)18-19(16-9-5-7-13-6-3-4-8-15(13)16)32-22(28-18)29-20-17(21(30)31)10-14(11-27-20)23(24,25)26;1-8(2)12-13(11-4-3-5-26-11)27-16(22-12)23-14-10(15(24)25)6-9(7-21-14)17(18,19)20;1-2;/h3-12H,1-2H3,(H,30,31)(H,27,28,29);3-8H,1-2H3,(H,24,25)(H,21,22,23);1-2H3;1H2
InChIKeyAZUDNLXYQFXCMO-UHFFFAOYSA-N
MW935.08 g/mol
LogP13.93
Rot. Bonds10

About ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane

ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane (PubChem CID 167489778) has the molecular formula C42H40F6N6O4S4 and a molecular weight of 935.08 g/mol. Its IUPAC name is ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane.

Molecular Properties

Compound Nameethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane
PubChem CID167489778
Molecular FormulaC42H40F6N6O4S4
Molecular Weight935.08 g/mol
Exact Mass934.19
IUPAC Nameethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane
SMILESCC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccc2ccccc12.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccs1.S
InChIInChI=1S/C23H18F3N3O2S.C17H14F3N3O2S2.C2H6.H2S/c1-12(2)18-19(16-9-5-7-13-6-3-4-8-15(13)16)32-22(28-18)29-20-17(21(30)31)10-14(11-27-20)23(24,25)26;1-8(2)12-13(11-4-3-5-26-11)27-16(22-12)23-14-10(15(24)25)6-9(7-21-14)17(18,19)20;1-2;/h3-12H,1-2H3,(H,30,31)(H,27,28,29);3-8H,1-2H3,(H,24,25)(H,21,22,23);1-2H3;1H2
InChIKeyAZUDNLXYQFXCMO-UHFFFAOYSA-N
XLogP13.93
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.08
LogP ≤ 513.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane with MolForge

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Related Compounds

5-fluoro-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 70978051
2-[[5-(2-Methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849239
3-Fluoro-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 71002229
(5R)-5-fluoro-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 89485837
(5S)-5-fluoro-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 89486015
5-[5-[4-Ethyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 144469788
Formaldehyde;2-[[5-(2-methylpropyl)-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849049
2-[[5-(2-Methylpropyl)-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849050
2-[[4-(1,3-Benzothiazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane;fluoromethane
CID 156849057
2-[[5-Propan-2-yl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849104
2-[(5-Propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849108
2-[(4-Naphthalen-1-yl-5-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849116

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane?
The IUPAC name of ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane (CID 167489778) is ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane.
What is the SMILES notation for ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane?
The canonical SMILES for ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane is CC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccc2ccccc12.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1cccs1.S.
What is the InChIKey of ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane?
The InChIKey is AZUDNLXYQFXCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2S.C17H14F3N3O2S2.C2H6.H2S/c1-12(2)18-19(16-9-5-7-13-6-3-4-8-15(13)16)32-22(28-18)29-20-17(21(30)31)10-14(11-27-20)23(24,25)26;1-8(2)12-13(11-4-3-5-26-11)27-16(22-12)23-14-10(15(24)25)6-9(7-21-14)17(18,19)20;1-2;/h3-12H,1-2H3,(H,30,31)(H,27,28,29);3-8H,1-2H3,(H,24,25)(H,21,22,23);1-2H3;1H2.
What are the key properties of ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane?
ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane has a molecular weight of 935.08 g/mol, XLogP of 13.93, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(5-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[(4-propan-2-yl-5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;sulfane is sourced from PubChem (CID 167489778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).