N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide

C17H19N3OS — CID 126829364

IUPACN-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCCc1nc(-c2ccccn2)cs1)C1CC=CC1
InChIInChI=1S/C17H19N3OS/c21-17(13-6-1-2-7-13)19-11-5-9-16-20-15(12-22-16)14-8-3-4-10-18-14/h1-4,8,10,12-13H,5-7,9,11H2,(H,19,21)
InChIKeyYWFYOFATWWEZQQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide

N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide (PubChem CID 126829364) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
PubChem CID126829364
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCCCc1nc(-c2ccccn2)cs1)C1CC=CC1
InChIInChI=1S/C17H19N3OS/c21-17(13-6-1-2-7-13)19-11-5-9-16-20-15(12-22-16)14-8-3-4-10-18-14/h1-4,8,10,12-13H,5-7,9,11H2,(H,19,21)
InChIKeyYWFYOFATWWEZQQ-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide (CID 126829364) is N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide is O=C(NCCCc1nc(-c2ccccn2)cs1)C1CC=CC1.
What is the InChIKey of N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is YWFYOFATWWEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(13-6-1-2-7-13)19-11-5-9-16-20-15(12-22-16)14-8-3-4-10-18-14/h1-4,8,10,12-13H,5-7,9,11H2,(H,19,21).
What are the key properties of N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide?
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 126829364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).