2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid

C8H12N2O2S2 — CID 63035563

IUPAC2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1csc(SCCC(N)C(=O)O)n1
InChIInChI=1S/C8H12N2O2S2/c1-5-4-14-8(10-5)13-3-2-6(9)7(11)12/h4,6H,2-3,9H2,1H3,(H,11,12)
InChIKeyZHGVQCCLNHKQDY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid

2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid (PubChem CID 63035563) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
PubChem CID63035563
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1csc(SCCC(N)C(=O)O)n1
InChIInChI=1S/C8H12N2O2S2/c1-5-4-14-8(10-5)13-3-2-6(9)7(11)12/h4,6H,2-3,9H2,1H3,(H,11,12)
InChIKeyZHGVQCCLNHKQDY-UHFFFAOYSA-N
XLogP1.35
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoic acid
CID 55144551
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
(2S)-2-amino-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]propanoic acid
CID 96838041
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63033819
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744
2-amino-4-pyrimidin-2-ylsulfanylbutanoic acid
CID 63035392
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid?
The IUPAC name of 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid (CID 63035563) is 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid?
The canonical SMILES for 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid is Cc1csc(SCCC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid?
The InChIKey is ZHGVQCCLNHKQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-5-4-14-8(10-5)13-3-2-6(9)7(11)12/h4,6H,2-3,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid?
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid has a molecular weight of 232.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid is sourced from PubChem (CID 63035563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).