2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C9H13N3O2S — CID 82171903

IUPAC2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C9H13N3O2S/c10-9-12-5-7(15-9)8(13)11-4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,10,12)(H,11,13)
InChIKeyWDIJKWVWXCSRAP-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.63
Rot. Bonds3

About 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 82171903) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID82171903
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C9H13N3O2S/c10-9-12-5-7(15-9)8(13)11-4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,10,12)(H,11,13)
InChIKeyWDIJKWVWXCSRAP-UHFFFAOYSA-N
XLogP0.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 82171903) is 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WDIJKWVWXCSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9-12-5-7(15-9)8(13)11-4-6-2-1-3-14-6/h5-6H,1-4H2,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82171903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).