3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide

C17H15F3N4O2S2 — CID 86665604

IUPAC3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OCC(F)(F)F)n2)s1
InChIInChI=1S/C17H15F3N4O2S2/c1-8-14(28-9(2)22-8)12-6-27-16(24-12)23-11-5-10(15(21)25)3-4-13(11)26-7-17(18,19)20/h3-6H,7H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyOWVYRMKCOJHXBX-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.67
Rot. Bonds6

About 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide

3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 86665604) has the molecular formula C17H15F3N4O2S2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID86665604
Molecular FormulaC17H15F3N4O2S2
Molecular Weight428.46 g/mol
Exact Mass428.06
IUPAC Name3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OCC(F)(F)F)n2)s1
InChIInChI=1S/C17H15F3N4O2S2/c1-8-14(28-9(2)22-8)12-6-27-16(24-12)23-11-5-10(15(21)25)3-4-13(11)26-7-17(18,19)20/h3-6H,7H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyOWVYRMKCOJHXBX-UHFFFAOYSA-N
XLogP4.67
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide (CID 86665604) is 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide is Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OCC(F)(F)F)n2)s1.
What is the InChIKey of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is OWVYRMKCOJHXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S2/c1-8-14(28-9(2)22-8)12-6-27-16(24-12)23-11-5-10(15(21)25)3-4-13(11)26-7-17(18,19)20/h3-6H,7H2,1-2H3,(H2,21,25)(H,23,24).
What are the key properties of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide?
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 428.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 86665604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).