3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide

C11H14N6OS — CID 103378262

IUPAC3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C11H14N6OS/c1-6-14-4-3-7(16-6)5-15-11-8(10(18)13-2)9(12)17-19-11/h3-4,15H,5H2,1-2H3,(H2,12,17)(H,13,18)
InChIKeyMMASEXRCJBXIBQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.80
Rot. Bonds4

About 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103378262) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103378262
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C11H14N6OS/c1-6-14-4-3-7(16-6)5-15-11-8(10(18)13-2)9(12)17-19-11/h3-4,15H,5H2,1-2H3,(H2,12,17)(H,13,18)
InChIKeyMMASEXRCJBXIBQ-UHFFFAOYSA-N
XLogP0.80
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-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 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (CID 103378262) is 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCc1ccnc(C)n1.
What is the InChIKey of 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is MMASEXRCJBXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-6-14-4-3-7(16-6)5-15-11-8(10(18)13-2)9(12)17-19-11/h3-4,15H,5H2,1-2H3,(H2,12,17)(H,13,18).
What are the key properties of 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).