N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide

C9H7N3OS — CID 174849944

IUPACN-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
SMILESO=CNc1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H7N3OS/c13-6-12-8-5-11-9(14-8)7-2-1-3-10-4-7/h1-6H,(H,12,13)
InChIKeyUWGGFVQQSZGOOJ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.77
Rot. Bonds3

About N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide

N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide (PubChem CID 174849944) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
PubChem CID174849944
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC NameN-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
SMILESO=CNc1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H7N3OS/c13-6-12-8-5-11-9(14-8)7-2-1-3-10-4-7/h1-6H,(H,12,13)
InChIKeyUWGGFVQQSZGOOJ-UHFFFAOYSA-N
XLogP1.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-3-yl-1,3-thiazol-5-yl)formamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide (CID 174849944) is N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide is O=CNc1cnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide?
The InChIKey is UWGGFVQQSZGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c13-6-12-8-5-11-9(14-8)7-2-1-3-10-4-7/h1-6H,(H,12,13).
What are the key properties of N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide?
N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide has a molecular weight of 205.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide is sourced from PubChem (CID 174849944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).