1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H18N2O3S2 — CID 120539913

IUPAC1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H18N2O3S2/c1-18(16(15(20)21)7-3-2-4-8-16)14(19)11-10-23-13(17-11)12-6-5-9-22-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyMDPHJHDKMWIGDV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.73
Rot. Bonds4

About 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539913) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539913
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H18N2O3S2/c1-18(16(15(20)21)7-3-2-4-8-16)14(19)11-10-23-13(17-11)12-6-5-9-22-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyMDPHJHDKMWIGDV-UHFFFAOYSA-N
XLogP3.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539581
N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96579417
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891023
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56745375
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
1-[1-benzothiophene-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540233
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134046643

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120539913) is 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1csc(-c2cccs2)n1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MDPHJHDKMWIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(16(15(20)21)7-3-2-4-8-16)14(19)11-10-23-13(17-11)12-6-5-9-22-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 350.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).