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

C8H12N2O2S — CID 127001223

IUPACN-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CO)ns1
InChIInChI=1S/C8H12N2O2S/c1-5(4-11)9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12)
InChIKeyDPSLNVQQLFWSMZ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds3

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

N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 127001223) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID127001223
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CO)ns1
InChIInChI=1S/C8H12N2O2S/c1-5(4-11)9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12)
InChIKeyDPSLNVQQLFWSMZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-but-3-en-2-yl-5-methyl-1,2-thiazole-3-carboxamide
CID 131084341
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
CID 43522681
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate
CID 164643246
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
5-methyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
CID 126834606
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide (CID 127001223) is N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC(C)CO)ns1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is DPSLNVQQLFWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(4-11)9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 127001223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).