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

C13H16N6OS — CID 103378260

IUPAC3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCc1nccc(CNc2snc(N)c2C(=O)NC2CC2)n1
InChIInChI=1S/C13H16N6OS/c1-7-15-5-4-9(17-7)6-16-13-10(11(14)19-21-13)12(20)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H2,14,19)(H,18,20)
InChIKeyWGDFADZAFPUASF-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.33
Rot. Bonds5

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

3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103378260) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103378260
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCc1nccc(CNc2snc(N)c2C(=O)NC2CC2)n1
InChIInChI=1S/C13H16N6OS/c1-7-15-5-4-9(17-7)6-16-13-10(11(14)19-21-13)12(20)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H2,14,19)(H,18,20)
InChIKeyWGDFADZAFPUASF-UHFFFAOYSA-N
XLogP1.33
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide (CID 103378260) is 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is Cc1nccc(CNc2snc(N)c2C(=O)NC2CC2)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is WGDFADZAFPUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-7-15-5-4-9(17-7)6-16-13-10(11(14)19-21-13)12(20)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H2,14,19)(H,18,20).
What are the key properties of 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).