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

C15H19N5OS — CID 75395361

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2nccc(C)n2)C2CC2)s1
InChIInChI=1S/C15H19N5OS/c1-3-16-15-18-8-11(22-15)14(21)20-12(10-4-5-10)13-17-7-6-9(2)19-13/h6-8,10,12H,3-5H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyUMYBTEHYNPZNCL-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.55
Rot. Bonds6

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

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 75395361) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID75395361
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(c2nccc(C)n2)C2CC2)s1
InChIInChI=1S/C15H19N5OS/c1-3-16-15-18-8-11(22-15)14(21)20-12(10-4-5-10)13-17-7-6-9(2)19-13/h6-8,10,12H,3-5H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyUMYBTEHYNPZNCL-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-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 N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 75395361) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NC(c2nccc(C)n2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is UMYBTEHYNPZNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-16-15-18-8-11(22-15)14(21)20-12(10-4-5-10)13-17-7-6-9(2)19-13/h6-8,10,12H,3-5H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75395361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).