N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

C17H19F3N4OS — CID 71682209

IUPACN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1-c1ccc(N)nc1
InChIInChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25)
InChIKeyCOAOLJMLZGYFOT-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.40
Rot. Bonds3

About N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71682209) has the molecular formula C17H19F3N4OS and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71682209
Molecular FormulaC17H19F3N4OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1-c1ccc(N)nc1
InChIInChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25)
InChIKeyCOAOLJMLZGYFOT-UHFFFAOYSA-N
XLogP4.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71682209) is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1-c1ccc(N)nc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is COAOLJMLZGYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS/c1-9-14(11-4-7-13(21)22-8-11)26-16(23-9)24-15(25)10-2-5-12(6-3-10)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H2,21,22)(H,23,24,25).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71682209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).