4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C18H25N5OS — CID 51125058

IUPAC4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C18H25N5OS/c1-12-6-4-9-23(10-12)11-13(2)21-17(24)15-14(3)22-18(25-15)16-19-7-5-8-20-16/h5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,21,24)
InChIKeyGWJLTGJUKYBYOS-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.76
Rot. Bonds5

About 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 51125058) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID51125058
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C18H25N5OS/c1-12-6-4-9-23(10-12)11-13(2)21-17(24)15-14(3)22-18(25-15)16-19-7-5-8-20-16/h5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,21,24)
InChIKeyGWJLTGJUKYBYOS-UHFFFAOYSA-N
XLogP2.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-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 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 51125058) is 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NC(C)CN1CCCC(C)C1.
What is the InChIKey of 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GWJLTGJUKYBYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12-6-4-9-23(10-12)11-13(2)21-17(24)15-14(3)22-18(25-15)16-19-7-5-8-20-16/h5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,21,24).
What are the key properties of 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51125058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).