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

C19H19F3N4O2S — CID 155449117

IUPACN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H19F3N4O2S/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/h7-10,12H,2-6H2,1H3,(H,23,27)
InChIKeyFCIVTDYVXJTUOI-UHFFFAOYSA-N
MW424.45 g/mol
LogP5.28
Rot. Bonds4

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

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 155449117) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID155449117
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C19H19F3N4O2S/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/h7-10,12H,2-6H2,1H3,(H,23,27)
InChIKeyFCIVTDYVXJTUOI-UHFFFAOYSA-N
XLogP5.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 55.28
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?
The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 155449117) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is 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?
The InChIKey is FCIVTDYVXJTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/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/h7-10,12H,2-6H2,1H3,(H,23,27).
What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 5.28, 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 is sourced from PubChem (CID 155449117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).