N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide

C7H10N2O3S — CID 130619214

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h3-4,10H,2H2,1H3,(H,8,11)(H,9,12)/t4-/m0/s1
InChIKeyGRLAEGBCUGBFOR-BYPYZUCNSA-N
MW202.23 g/mol
LogP-0.45
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide (PubChem CID 130619214) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide
PubChem CID130619214
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h3-4,10H,2H2,1H3,(H,8,11)(H,9,12)/t4-/m0/s1
InChIKeyGRLAEGBCUGBFOR-BYPYZUCNSA-N
XLogP-0.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide (CID 130619214) is N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide is C[C@@H](CO)NC(=O)c1csc(=O)[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide?
The InChIKey is GRLAEGBCUGBFOR-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h3-4,10H,2H2,1H3,(H,8,11)(H,9,12)/t4-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide has a molecular weight of 202.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130619214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).