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

C14H20N2O3S — CID 29127428

IUPAC4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-12(20-9(2)16-8)13(17)15-7-10-3-5-11(6-4-10)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDPIYLNBWJWVKMC-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.38
Rot. Bonds4

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

4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 29127428) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID29127428
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-8-12(20-9(2)16-8)13(17)15-7-10-3-5-11(6-4-10)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyDPIYLNBWJWVKMC-UHFFFAOYSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 29127428) is 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1nc(C)c(C(=O)NCC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DPIYLNBWJWVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-12(20-9(2)16-8)13(17)15-7-10-3-5-11(6-4-10)14(18)19/h10-11H,3-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 29127428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).