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

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Related Compounds

4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
4-butyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60586889
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 43989038
N-(4-bromo-1,3-benzothiazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 43989493
4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 108745483
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
CID 16933592
N-[4-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43057528
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656504
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804

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).