N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide

C22H31N3OS — CID 119779768

IUPACN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)C3CCCNC3)s2)cc1
InChIInChI=1S/C22H31N3OS/c1-14-7-9-18(10-8-14)22-25-17(4)21(27-22)16(3)24-20(26)12-15(2)19-6-5-11-23-13-19/h7-10,15-16,19,23H,5-6,11-13H2,1-4H3,(H,24,26)
InChIKeyOWQOQJARZJCJBV-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.63
Rot. Bonds6

About N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119779768) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119779768
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)C3CCCNC3)s2)cc1
InChIInChI=1S/C22H31N3OS/c1-14-7-9-18(10-8-14)22-25-17(4)21(27-22)16(3)24-20(26)12-15(2)19-6-5-11-23-13-19/h7-10,15-16,19,23H,5-6,11-13H2,1-4H3,(H,24,26)
InChIKeyOWQOQJARZJCJBV-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119779789
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119777366
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813905

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide (CID 119779768) is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide is Cc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)C3CCCNC3)s2)cc1.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is OWQOQJARZJCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-14-7-9-18(10-8-14)22-25-17(4)21(27-22)16(3)24-20(26)12-15(2)19-6-5-11-23-13-19/h7-10,15-16,19,23H,5-6,11-13H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide?
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 385.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119779768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).