(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide

C19H27N3OS — CID 169004751

IUPAC(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@@H]1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C19H27N3OS/c23-19(20-10-7-13-22-11-5-2-6-12-22)17-15-24-18(21-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,23)/t17-/m0/s1
InChIKeyXCDVMPAIKZVJQN-KRWDZBQOSA-N
MW345.51 g/mol
LogP2.74
Rot. Bonds7

About (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide

(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 169004751) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID169004751
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@@H]1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C19H27N3OS/c23-19(20-10-7-13-22-11-5-2-6-12-22)17-15-24-18(21-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,23)/t17-/m0/s1
InChIKeyXCDVMPAIKZVJQN-KRWDZBQOSA-N
XLogP2.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(4R)-2-benzyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 25246412
2-benzyl-3-oxo-N-(3-piperidin-1-ylpropyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 53147714
2,4-diphenyl-1-N,3-N-bis(3-pyrrolidin-1-ylpropyl)cyclobutane-1,3-dicarboxamide;iodomethane
CID 2849414
(3R)-N-[3-(azepan-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41368308
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
2-benzyl-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500555
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213825
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 169004751) is (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(NCCCN1CCCCC1)[C@@H]1CSC(Cc2ccccc2)=N1.
What is the InChIKey of (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is XCDVMPAIKZVJQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3OS/c23-19(20-10-7-13-22-11-5-2-6-12-22)17-15-24-18(21-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,20,23)/t17-/m0/s1.
What are the key properties of (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
(4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzyl-N-(3-piperidin-1-ylpropyl)-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 169004751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).