N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide

C10H14N2O3S — CID 136521180

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H14N2O3S/c1-7-8(4-16-12-7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyHLYRJNNQGJJENB-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.33
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 136521180) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID136521180
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H14N2O3S/c1-7-8(4-16-12-7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyHLYRJNNQGJJENB-UHFFFAOYSA-N
XLogP0.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 103849495
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
CID 103849185

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 136521180) is N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is HLYRJNNQGJJENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-8(4-16-12-7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 136521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).