N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane

C22H27F3N4O2S — CID 155752248

IUPACN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane
SMILESCCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H19F3N4O2S.C3H8/c1-28-15-8-13-11(9-26(25-13)12-5-3-2-4-6-12)7-14(15)23-17(27)18-24-16(10-29-18)19(20,21)22;1-3-2/h7-10,12H,2-6H2,1H3,(H,23,27);3H2,1-2H3
InChIKeyHBNFNFMXDPACNK-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.69
Rot. Bonds4

About N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane (PubChem CID 155752248) has the molecular formula C22H27F3N4O2S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane
PubChem CID155752248
Molecular FormulaC22H27F3N4O2S
Molecular Weight468.55 g/mol
Exact Mass468.18
IUPAC NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane
SMILESCCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H19F3N4O2S.C3H8/c1-28-15-8-13-11(9-26(25-13)12-5-3-2-4-6-12)7-14(15)23-17(27)18-24-16(10-29-18)19(20,21)22;1-3-2/h7-10,12H,2-6H2,1H3,(H,23,27);3H2,1-2H3
InChIKeyHBNFNFMXDPACNK-UHFFFAOYSA-N
XLogP6.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane?
The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane (CID 155752248) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane.
What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane?
The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane is CCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane?
The InChIKey is HBNFNFMXDPACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S.C3H8/c1-28-15-8-13-11(9-26(25-13)12-5-3-2-4-6-12)7-14(15)23-17(27)18-24-16(10-29-18)19(20,21)22;1-3-2/h7-10,12H,2-6H2,1H3,(H,23,27);3H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane?
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane has a molecular weight of 468.55 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;propane is sourced from PubChem (CID 155752248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).