(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

C8H12N2O2S — CID 130629082

IUPAC(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)[C@H](C)O)n1
InChIInChI=1S/C8H12N2O2S/c1-5-4-13-7(10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyAESDDWMXJHYIQR-LURJTMIESA-N
MW200.26 g/mol
LogP0.45
Rot. Bonds3

About (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide

(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 130629082) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID130629082
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)[C@H](C)O)n1
InChIInChI=1S/C8H12N2O2S/c1-5-4-13-7(10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyAESDDWMXJHYIQR-LURJTMIESA-N
XLogP0.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 54962722
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 130629082) is (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)[C@H](C)O)n1.
What is the InChIKey of (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is AESDDWMXJHYIQR-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-4-13-7(10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 200.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 130629082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).