4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

C14H21N3O3S — CID 63629357

IUPAC4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)NC2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h8,10H,3-7H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyKRJZILFTWPLHED-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.53
Rot. Bonds4

About 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63629357) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63629357
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)NC2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h8,10H,3-7H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyKRJZILFTWPLHED-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629010
2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
4-methyl-2-[[(3-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630024
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705
4-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 104901151
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853
2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629344
2-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628686
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63629357) is 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)NC2CCCCC2C)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KRJZILFTWPLHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-5-3-4-6-10(8)17-14(20)15-7-11-16-9(2)12(21-11)13(18)19/h8,10H,3-7H2,1-2H3,(H,18,19)(H2,15,17,20).
What are the key properties of 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methylcyclohexyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63629357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).