2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid

C11H15N3O3S — CID 28858154

IUPAC2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)cs1)NC1CCCCC1
InChIInChI=1S/C11H15N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H2,12,13,14,17)
InChIKeyAYWCZARDFZQDSR-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.30
Rot. Bonds3

About 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid

2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 28858154) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID28858154
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)cs1)NC1CCCCC1
InChIInChI=1S/C11H15N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H2,12,13,14,17)
InChIKeyAYWCZARDFZQDSR-UHFFFAOYSA-N
XLogP2.30
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 175331559
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948468
1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080414
2-(cyclohexylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 90044718

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid (CID 28858154) is 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid is O=C(Nc1nc(C(=O)O)cs1)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AYWCZARDFZQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H2,12,13,14,17).
What are the key properties of 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 28858154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).