(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid

C10H15N3O4S — CID 107839922

IUPAC(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
SMILESCc1ncsc1CNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-6-8(18-5-13-6)4-12-10(17)11-3-2-7(14)9(15)16/h5,7,14H,2-4H2,1H3,(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyHYHMHGXCDPYYPM-ZETCQYMHSA-N
MW273.31 g/mol
LogP0.09
Rot. Bonds6

About (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid (PubChem CID 107839922) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
PubChem CID107839922
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
SMILESCc1ncsc1CNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-6-8(18-5-13-6)4-12-10(17)11-3-2-7(14)9(15)16/h5,7,14H,2-4H2,1H3,(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyHYHMHGXCDPYYPM-ZETCQYMHSA-N
XLogP0.09
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721
2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
1-(2-hydroxy-3-methylpentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111338458
5-methoxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 81081279
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826162
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid (CID 107839922) is (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid is Cc1ncsc1CNC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is HYHMHGXCDPYYPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6-8(18-5-13-6)4-12-10(17)11-3-2-7(14)9(15)16/h5,7,14H,2-4H2,1H3,(H,15,16)(H2,11,12,17)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107839922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).