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

C19H25N3OS — CID 119321360

IUPACN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCNCC3)s2)cc1
InChIInChI=1S/C19H25N3OS/c1-12-4-6-16(7-5-12)19-22-14(3)17(24-19)13(2)21-18(23)15-8-10-20-11-9-15/h4-7,13,15,20H,8-11H2,1-3H3,(H,21,23)
InChIKeyNZVDDSYRUNMAOH-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.60
Rot. Bonds4

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

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide (PubChem CID 119321360) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
PubChem CID119321360
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCNCC3)s2)cc1
InChIInChI=1S/C19H25N3OS/c1-12-4-6-16(7-5-12)19-22-14(3)17(24-19)13(2)21-18(23)15-8-10-20-11-9-15/h4-7,13,15,20H,8-11H2,1-3H3,(H,21,23)
InChIKeyNZVDDSYRUNMAOH-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide (CID 119321360) is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCNCC3)s2)cc1.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is NZVDDSYRUNMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-12-4-6-16(7-5-12)19-22-14(3)17(24-19)13(2)21-18(23)15-8-10-20-11-9-15/h4-7,13,15,20H,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.60, 4 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]piperidine-4-carboxamide is sourced from PubChem (CID 119321360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).