(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

C8H12N2O2S — CID 130609015

IUPAC(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)[C@@H](C)O
InChIInChI=1S/C8H12N2O2S/c1-5-7(13-4-10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m1/s1
InChIKeyOAPXTBMDALOCPZ-ZCFIWIBFSA-N
MW200.26 g/mol
LogP0.45
Rot. Bonds3

About (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 130609015) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID130609015
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)[C@@H](C)O
InChIInChI=1S/C8H12N2O2S/c1-5-7(13-4-10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m1/s1
InChIKeyOAPXTBMDALOCPZ-ZCFIWIBFSA-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

2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63283874
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
1-(2-hydroxy-3-methylpentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111338458
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 130609015) is (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncsc1CNC(=O)[C@@H](C)O.
What is the InChIKey of (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is OAPXTBMDALOCPZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-7(13-4-10-5)3-9-8(12)6(2)11/h4,6,11H,3H2,1-2H3,(H,9,12)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-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 (2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 130609015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).