4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

C16H26N2OS — CID 23613046

IUPAC4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C16H26N2OS/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-10-15-11-20-12(2)18-15/h11,13-14H,3-10H2,1-2H3,(H,17,19)
InChIKeyGSQJBSWTEHNRQH-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.06
Rot. Bonds6

About 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 23613046) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID23613046
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C16H26N2OS/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-10-15-11-20-12(2)18-15/h11,13-14H,3-10H2,1-2H3,(H,17,19)
InChIKeyGSQJBSWTEHNRQH-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 23613046) is 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCc2csc(C)n2)CC1.
What is the InChIKey of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is GSQJBSWTEHNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-10-15-11-20-12(2)18-15/h11,13-14H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 23613046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).