4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide

C17H18F3N3OS — CID 58236116

IUPAC4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H18F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-3,8-9,12-13H,4-7H2,1H3,(H,23,24)
InChIKeyRKHTZNZIQNZQDX-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.36
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 58236116) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID58236116
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H18F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-3,8-9,12-13H,4-7H2,1H3,(H,23,24)
InChIKeyRKHTZNZIQNZQDX-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 58236116) is 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RKHTZNZIQNZQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-3,8-9,12-13H,4-7H2,1H3,(H,23,24).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).