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

C17H29N3OS — CID 108726497

IUPAC4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc(CN(C)C)cs2)CC1
InChIInChI=1S/C17H29N3OS/c1-4-5-6-13-7-9-14(10-8-13)16(21)19-17-18-15(12-22-17)11-20(2)3/h12-14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeySBOZQLOSSWPXKN-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.14
Rot. Bonds7

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

4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 108726497) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID108726497
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc(CN(C)C)cs2)CC1
InChIInChI=1S/C17H29N3OS/c1-4-5-6-13-7-9-14(10-8-13)16(21)19-17-18-15(12-22-17)11-20(2)3/h12-14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeySBOZQLOSSWPXKN-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 108726497) is 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc(CN(C)C)cs2)CC1.
What is the InChIKey of 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is SBOZQLOSSWPXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-5-6-13-7-9-14(10-8-13)16(21)19-17-18-15(12-22-17)11-20(2)3/h12-14H,4-11H2,1-3H3,(H,18,19,21).
What are the key properties of 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 108726497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).