4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

C11H14N3O3S- — CID 7116668

IUPAC4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)[O-]
InChIInChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17)/p-1
InChIKeyYRNSAQYTHAZUDK-UHFFFAOYSA-M
MW268.32 g/mol
LogP0.15
Rot. Bonds3

About 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 7116668) has the molecular formula C11H14N3O3S- and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID7116668
Molecular FormulaC11H14N3O3S-
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC Name4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)[O-]
InChIInChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17)/p-1
InChIKeyYRNSAQYTHAZUDK-UHFFFAOYSA-M
XLogP0.15
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
CID 645199
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 651494
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid 1-tert-butylcarbamoyl-ethyl ester
CID 3219020
4-Amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
CID 3219071
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid tert-butylcarbamoyl-methyl ester
CID 646580
Ethyl 4-amino-3-(4-morpholinylcarbonyl)-5-isothiazolecarboxylate
CID 7241275
Methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 50743440
4-Amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743412
4-Amino-3-[(cyclopropylmethyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 50743432
4-amino-N5-cyclohexyl-N3-methylisothiazole-3,5-dicarboxamide
CID 52905788
4-amino-N5-cyclohexyl-N3-(propan-2-yl)-1,2-thiazole-3,5-dicarboxamide
CID 52905848
4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 7116668) is 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)[O-].
What is the InChIKey of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is YRNSAQYTHAZUDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17)/p-1.
What are the key properties of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 7116668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).