N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C17H25N3O2S — CID 53149426

IUPACN-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C17H25N3O2S/c1-11(2)15(21)18-8-14-10-23-16(19-14)13-4-3-7-20(9-13)17(22)12-5-6-12/h10-13H,3-9H2,1-2H3,(H,18,21)
InChIKeyGIGUYUKCANZDLQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.53
Rot. Bonds5

About N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149426) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149426
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C17H25N3O2S/c1-11(2)15(21)18-8-14-10-23-16(19-14)13-4-3-7-20(9-13)17(22)12-5-6-12/h10-13H,3-9H2,1-2H3,(H,18,21)
InChIKeyGIGUYUKCANZDLQ-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide 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-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149426) is N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)C3CC3)C2)n1.
What is the InChIKey of N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is GIGUYUKCANZDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)15(21)18-8-14-10-23-16(19-14)13-4-3-7-20(9-13)17(22)12-5-6-12/h10-13H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 335.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).