2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C8H12N2O2S — CID 162470686

IUPAC2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)CO)sc1C(N)=O
InChIInChI=1S/C8H12N2O2S/c1-4(3-11)8-10-5(2)6(13-8)7(9)12/h4,11H,3H2,1-2H3,(H2,9,12)
InChIKeyDBNHPKAVUBHCCM-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.65
Rot. Bonds3

About 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 162470686) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID162470686
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)CO)sc1C(N)=O
InChIInChI=1S/C8H12N2O2S/c1-4(3-11)8-10-5(2)6(13-8)7(9)12/h4,11H,3H2,1-2H3,(H2,9,12)
InChIKeyDBNHPKAVUBHCCM-UHFFFAOYSA-N
XLogP0.65
TPSA76.21 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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 162470686) is 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)CO)sc1C(N)=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DBNHPKAVUBHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4(3-11)8-10-5(2)6(13-8)7(9)12/h4,11H,3H2,1-2H3,(H2,9,12).
What are the key properties of 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).