1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C19H24N4OS — CID 46907702

IUPAC1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCCC4)c3)s2)CC1
InChIInChI=1S/C19H24N4OS/c20-18(24)14-6-10-23(11-7-14)19-21-13-17(25-19)15-4-3-5-16(12-15)22-8-1-2-9-22/h3-5,12-14H,1-2,6-11H2,(H2,20,24)
InChIKeyBQNCJGIWXCJMIC-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907702) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907702
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCCC4)c3)s2)CC1
InChIInChI=1S/C19H24N4OS/c20-18(24)14-6-10-23(11-7-14)19-21-13-17(25-19)15-4-3-5-16(12-15)22-8-1-2-9-22/h3-5,12-14H,1-2,6-11H2,(H2,20,24)
InChIKeyBQNCJGIWXCJMIC-UHFFFAOYSA-N
XLogP3.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pha-690509
CID 9902100
1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907676
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71600846
2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 9923630
1-[4-[3-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144366
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
1-[5-(4-Methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907733
(3S)-1-cyano-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 118980596
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 162353381
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 163368404

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907702) is 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3cccc(N4CCCC4)c3)s2)CC1.
What is the InChIKey of 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is BQNCJGIWXCJMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c20-18(24)14-6-10-23(11-7-14)19-21-13-17(25-19)15-4-3-5-16(12-15)22-8-1-2-9-22/h3-5,12-14H,1-2,6-11H2,(H2,20,24).
What are the key properties of 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).