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

C8H12N2O2S — CID 93057158

IUPAC(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC[C@H](Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-3-6(7(11)12)10-8-9-5(2)4-13-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyJTJBEQLJFXCUQT-LURJTMIESA-N
MW200.26 g/mol
LogP1.73
Rot. Bonds4

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

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid (PubChem CID 93057158) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
PubChem CID93057158
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC[C@H](Nc1nc(C)cs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-3-6(7(11)12)10-8-9-5(2)4-13-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyJTJBEQLJFXCUQT-LURJTMIESA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
CID 62111309
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid (CID 93057158) is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid is CC[C@H](Nc1nc(C)cs1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid?
The InChIKey is JTJBEQLJFXCUQT-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-6(7(11)12)10-8-9-5(2)4-13-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid?
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 93057158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).