(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide

C8H12N2O2S — CID 127009505

IUPAC(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
SMILESCc1nc(C)c(NC(=O)[C@H](C)O)s1
InChIInChI=1S/C8H12N2O2S/c1-4-8(13-6(3)9-4)10-7(12)5(2)11/h5,11H,1-3H3,(H,10,12)/t5-/m0/s1
InChIKeyVGSRVNKOFYQWQT-YFKPBYRVSA-N
MW200.26 g/mol
LogP1.08
Rot. Bonds2

About (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide

(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide (PubChem CID 127009505) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
PubChem CID127009505
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
SMILESCc1nc(C)c(NC(=O)[C@H](C)O)s1
InChIInChI=1S/C8H12N2O2S/c1-4-8(13-6(3)9-4)10-7(12)5(2)11/h5,11H,1-3H3,(H,10,12)/t5-/m0/s1
InChIKeyVGSRVNKOFYQWQT-YFKPBYRVSA-N
XLogP1.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide (CID 127009505) is (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide is Cc1nc(C)c(NC(=O)[C@H](C)O)s1.
What is the InChIKey of (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide?
The InChIKey is VGSRVNKOFYQWQT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-8(13-6(3)9-4)10-7(12)5(2)11/h5,11H,1-3H3,(H,10,12)/t5-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide?
(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide has a molecular weight of 200.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide is sourced from PubChem (CID 127009505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).