1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C21H23N5OS — CID 24819627

IUPAC1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1
InChIInChI=1S/C21H23N5OS/c1-15-22-9-16(10-23-15)11-26-8-2-3-18(12-26)21(27)25-19-6-4-17(5-7-19)20-13-28-14-24-20/h4-7,9-10,13-14,18H,2-3,8,11-12H2,1H3,(H,25,27)
InChIKeyKWOYBAZRRWERMS-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.76
Rot. Bonds5

About 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 24819627) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID24819627
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1
InChIInChI=1S/C21H23N5OS/c1-15-22-9-16(10-23-15)11-26-8-2-3-18(12-26)21(27)25-19-6-4-17(5-7-19)20-13-28-14-24-20/h4-7,9-10,13-14,18H,2-3,8,11-12H2,1H3,(H,25,27)
InChIKeyKWOYBAZRRWERMS-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 24819627) is 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1.
What is the InChIKey of 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is KWOYBAZRRWERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-15-22-9-16(10-23-15)11-26-8-2-3-18(12-26)21(27)25-19-6-4-17(5-7-19)20-13-28-14-24-20/h4-7,9-10,13-14,18H,2-3,8,11-12H2,1H3,(H,25,27).
What are the key properties of 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).