(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid

C8H11N3O4S — CID 107835738

IUPAC(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCc1nc(N)sc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H11N3O4S/c1-3-5(16-8(9)11-3)6(13)10-2-4(12)7(14)15/h4,12H,2H2,1H3,(H2,9,11)(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyFHPCSZGGTLXXBB-BYPYZUCNSA-N
MW245.26 g/mol
LogP-0.79
Rot. Bonds4

About (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107835738) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107835738
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCc1nc(N)sc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H11N3O4S/c1-3-5(16-8(9)11-3)6(13)10-2-4(12)7(14)15/h4,12H,2H2,1H3,(H2,9,11)(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyFHPCSZGGTLXXBB-BYPYZUCNSA-N
XLogP-0.79
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid (CID 107835738) is (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid is Cc1nc(N)sc1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is FHPCSZGGTLXXBB-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-3-5(16-8(9)11-3)6(13)10-2-4(12)7(14)15/h4,12H,2H2,1H3,(H2,9,11)(H,10,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).