2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide

C9H13N3O2S — CID 80713116

IUPAC2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCOC1
InChIInChI=1S/C9H13N3O2S/c1-5-7(15-9(10)11-5)8(13)12-6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyNOMTYMBSUCQJJS-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.55
Rot. Bonds2

About 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 80713116) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID80713116
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCOC1
InChIInChI=1S/C9H13N3O2S/c1-5-7(15-9(10)11-5)8(13)12-6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyNOMTYMBSUCQJJS-UHFFFAOYSA-N
XLogP0.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052702
2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
CID 106187689
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
3-amino-4,6-dimethyl-N-(oxan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037821
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 104872552
6-chloro-2-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 168678063
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide (CID 80713116) is 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC1CCOC1.
What is the InChIKey of 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NOMTYMBSUCQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5-7(15-9(10)11-5)8(13)12-6-2-3-14-4-6/h6H,2-4H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 80713116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).