N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H15N3O2S2 — CID 70719812

IUPACN-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H15N3O2S2/c20-15(13-11-23-16(19-13)14-5-2-9-22-14)18-7-3-8-21-12-4-1-6-17-10-12/h1-2,4-6,9-11H,3,7-8H2,(H,18,20)
InChIKeyKRZFPVCWHIFJBF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.47
Rot. Bonds7

About N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70719812) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70719812
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H15N3O2S2/c20-15(13-11-23-16(19-13)14-5-2-9-22-14)18-7-3-8-21-12-4-1-6-17-10-12/h1-2,4-6,9-11H,3,7-8H2,(H,18,20)
InChIKeyKRZFPVCWHIFJBF-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70719812) is N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCCCOc1cccnc1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KRZFPVCWHIFJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-15(13-11-23-16(19-13)14-5-2-9-22-14)18-7-3-8-21-12-4-1-6-17-10-12/h1-2,4-6,9-11H,3,7-8H2,(H,18,20).
What are the key properties of N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-yloxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70719812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).