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

C8H13N3O3S — CID 66168708

IUPAC2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC(O)CO
InChIInChI=1S/C8H13N3O3S/c1-4-6(15-8(9)11-4)7(14)10-2-5(13)3-12/h5,12-13H,2-3H2,1H3,(H2,9,11)(H,10,14)
InChIKeyJEQZVTGRCNLGEU-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.88
Rot. Bonds4

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

2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 66168708) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID66168708
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC(O)CO
InChIInChI=1S/C8H13N3O3S/c1-4-6(15-8(9)11-4)7(14)10-2-5(13)3-12/h5,12-13H,2-3H2,1H3,(H2,9,11)(H,10,14)
InChIKeyJEQZVTGRCNLGEU-UHFFFAOYSA-N
XLogP-0.88
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 66168708) is 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC(O)CO.
What is the InChIKey of 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JEQZVTGRCNLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-4-6(15-8(9)11-4)7(14)10-2-5(13)3-12/h5,12-13H,2-3H2,1H3,(H2,9,11)(H,10,14).
What are the key properties of 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66168708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).