2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide

C19H25N3OS — CID 119823662

IUPAC2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C19H25N3OS/c1-2-12-22(16-8-10-20-11-9-16)19(23)17-14-24-18(21-17)13-15-6-4-3-5-7-15/h3-7,14,16,20H,2,8-13H2,1H3
InChIKeyCAWRYXHDJWXWDB-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.34
Rot. Bonds6

About 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide

2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 119823662) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID119823662
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C19H25N3OS/c1-2-12-22(16-8-10-20-11-9-16)19(23)17-14-24-18(21-17)13-15-6-4-3-5-7-15/h3-7,14,16,20H,2,8-13H2,1H3
InChIKeyCAWRYXHDJWXWDB-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195383
N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119442266
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824275
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide (CID 119823662) is 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNCC1.
What is the InChIKey of 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is CAWRYXHDJWXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-12-22(16-8-10-20-11-9-16)19(23)17-14-24-18(21-17)13-15-6-4-3-5-7-15/h3-7,14,16,20H,2,8-13H2,1H3.
What are the key properties of 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119823662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).