3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H21N3O3S — CID 63042646

IUPAC3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCc1nc(NC(=O)NC2CCCC(C(=O)O)C2)sc1C
InChIInChI=1S/C14H21N3O3S/c1-3-11-8(2)21-14(16-11)17-13(20)15-10-6-4-5-9(7-10)12(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyUCVZVZWMWQTHKY-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.78
Rot. Bonds4

About 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042646) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63042646
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCc1nc(NC(=O)NC2CCCC(C(=O)O)C2)sc1C
InChIInChI=1S/C14H21N3O3S/c1-3-11-8(2)21-14(16-11)17-13(20)15-10-6-4-5-9(7-10)12(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyUCVZVZWMWQTHKY-UHFFFAOYSA-N
XLogP2.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319449
cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092118
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465991
cis-(1R,3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319491
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992577
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
(2R)-2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927766
2-ethyl-2-[[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]butanoic acid
CID 115430981
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 63042646) is 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CCc1nc(NC(=O)NC2CCCC(C(=O)O)C2)sc1C.
What is the InChIKey of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UCVZVZWMWQTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-11-8(2)21-14(16-11)17-13(20)15-10-6-4-5-9(7-10)12(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).