2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide

C9H9N5OS — CID 87534445

IUPAC2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(N)s1)c1ccncn1
InChIInChI=1S/C9H9N5OS/c1-14(7-2-3-11-5-13-7)8(15)6-4-12-9(10)16-6/h2-5H,1H3,(H2,10,12)
InChIKeyKLDSTFNCLXLKCH-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide

2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 87534445) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID87534445
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(N)s1)c1ccncn1
InChIInChI=1S/C9H9N5OS/c1-14(7-2-3-11-5-13-7)8(15)6-4-12-9(10)16-6/h2-5H,1H3,(H2,10,12)
InChIKeyKLDSTFNCLXLKCH-UHFFFAOYSA-N
XLogP0.79
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-methyl-N-pyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide (CID 87534445) is 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1cnc(N)s1)c1ccncn1.
What is the InChIKey of 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KLDSTFNCLXLKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-14(7-2-3-11-5-13-7)8(15)6-4-12-9(10)16-6/h2-5H,1H3,(H2,10,12).
What are the key properties of 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide?
2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87534445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).