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

C17H22N4OS — CID 71682210

IUPACN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
InChIInChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyHFFDHCIWKMSYST-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.00
Rot. Bonds3

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

N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide (PubChem CID 71682210) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide
PubChem CID71682210
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
InChIInChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyHFFDHCIWKMSYST-UHFFFAOYSA-N
XLogP4.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.00
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]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide (CID 71682210) is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide is Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is HFFDHCIWKMSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-14(12-6-7-13(18)19-10-12)23-16(20-11)21-15(22)17(2)8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,19)(H,20,21,22).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide?
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 4.00, 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]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 71682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).