N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide

C15H22N2OS — CID 155186410

IUPACN-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCC1CCCC[C@@H]1c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C15H22N2OS/c1-10-5-2-3-8-12(10)13-9-16-15(19-13)17-14(18)11-6-4-7-11/h9-12H,2-8H2,1H3,(H,16,17,18)/t10?,12-/m0/s1
InChIKeyZKWDFWCCGNMNHT-KFJBMODSSA-N
MW278.42 g/mol
LogP4.18
Rot. Bonds3

About N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 155186410) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID155186410
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESCC1CCCC[C@@H]1c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C15H22N2OS/c1-10-5-2-3-8-12(10)13-9-16-15(19-13)17-14(18)11-6-4-7-11/h9-12H,2-8H2,1H3,(H,16,17,18)/t10?,12-/m0/s1
InChIKeyZKWDFWCCGNMNHT-KFJBMODSSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 155186410) is N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide is CC1CCCC[C@@H]1c1cnc(NC(=O)C2CCC2)s1.
What is the InChIKey of N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is ZKWDFWCCGNMNHT-KFJBMODSSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-2-3-8-12(10)13-9-16-15(19-13)17-14(18)11-6-4-7-11/h9-12H,2-8H2,1H3,(H,16,17,18)/t10?,12-/m0/s1.
What are the key properties of N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 278.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 155186410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).