N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide

C13H21N3OS — CID 135128202

IUPACN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyMJNIFGUFHQOGGG-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.00
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide

N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 135128202) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
PubChem CID135128202
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyMJNIFGUFHQOGGG-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-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-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide (CID 135128202) is N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2CCNCC2)ns1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is MJNIFGUFHQOGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 135128202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).