2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid

C15H22N2O3S — CID 39310871

IUPAC2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1nc(C)c(C(=O)NCC2(CC(=O)O)CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-10-13(21-11(2)17-10)14(20)16-9-15(8-12(18)19)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJHWWMQKVIHNCFH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 39310871) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID39310871
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1nc(C)c(C(=O)NCC2(CC(=O)O)CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-10-13(21-11(2)17-10)14(20)16-9-15(8-12(18)19)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJHWWMQKVIHNCFH-UHFFFAOYSA-N
XLogP2.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
(2R)-3-cyclohexyl-2-[(4-methyl-2-piperidin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 166274413
2-[3-(4-Methyl-1,3-thiazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 97527923
3-[1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 62215610
Methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoate;hydrobromide
CID 18969386
4-[[4-Methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid;hydrochloride
CID 18969437
4-[[4-Methyl-2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 18969438
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid;hydrobromide
CID 18969514
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
CID 18969515
Methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoate
CID 15391219
7-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 24690047
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 39310871) is 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid is Cc1nc(C)c(C(=O)NCC2(CC(=O)O)CCCCC2)s1.
What is the InChIKey of 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is JHWWMQKVIHNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-13(21-11(2)17-10)14(20)16-9-15(8-12(18)19)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 39310871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).