4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C9H11N3O3S — CID 50743432

IUPAC4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NCC2CC2)nsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c10-5-6(12-16-7(5)9(14)15)8(13)11-3-4-1-2-4/h4H,1-3,10H2,(H,11,13)(H,14,15)
InChIKeyUVDUHUNQADKZHM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 50743432) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID50743432
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NCC2CC2)nsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c10-5-6(12-16-7(5)9(14)15)8(13)11-3-4-1-2-4/h4H,1-3,10H2,(H,11,13)(H,14,15)
InChIKeyUVDUHUNQADKZHM-UHFFFAOYSA-N
XLogP0.56
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
CID 645199
7-oxo-6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 135531842
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-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703
Ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371235
Ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371663
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 860195
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 7116668
4-Amino-3-[(ethylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 50743413
4-Amino-3-(propylcarbamoyl)isothiazole-5-carboxylic acid
CID 50743414
4-Amino-3-(butylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743430

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 50743432) is 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is Nc1c(C(=O)NCC2CC2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is UVDUHUNQADKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-5-6(12-16-7(5)9(14)15)8(13)11-3-4-1-2-4/h4H,1-3,10H2,(H,11,13)(H,14,15).
What are the key properties of 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 50743432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).