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

C14H9N3O2S2 — CID 88563034

IUPACN-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=Cc1sccc1NC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C14H9N3O2S2/c18-7-12-10(3-5-20-12)16-13(19)11-8-21-14(17-11)9-2-1-4-15-6-9/h1-8H,(H,16,19)
InChIKeyWTRHMBDLIIWYDF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.33
Rot. Bonds4

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

N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 88563034) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID88563034
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC NameN-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=Cc1sccc1NC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C14H9N3O2S2/c18-7-12-10(3-5-20-12)16-13(19)11-8-21-14(17-11)9-2-1-4-15-6-9/h1-8H,(H,16,19)
InChIKeyWTRHMBDLIIWYDF-UHFFFAOYSA-N
XLogP3.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 88563034) is N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=Cc1sccc1NC(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WTRHMBDLIIWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-7-12-10(3-5-20-12)16-13(19)11-8-21-14(17-11)9-2-1-4-15-6-9/h1-8H,(H,16,19).
What are the key properties of N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88563034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).