N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide

C8H6N2OS3 — CID 175145092

IUPACN-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide
SMILESO=CNc1ccc(-c2csc(=S)[nH]2)s1
InChIInChI=1S/C8H6N2OS3/c11-4-9-7-2-1-6(14-7)5-3-13-8(12)10-5/h1-4H,(H,9,11)(H,10,12)
InChIKeyHLJGTOWOGQGDIK-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.10
Rot. Bonds3

About N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide

N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide (PubChem CID 175145092) has the molecular formula C8H6N2OS3 and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide.

Molecular Properties

Compound NameN-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide
PubChem CID175145092
Molecular FormulaC8H6N2OS3
Molecular Weight242.35 g/mol
Exact Mass241.96
IUPAC NameN-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide
SMILESO=CNc1ccc(-c2csc(=S)[nH]2)s1
InChIInChI=1S/C8H6N2OS3/c11-4-9-7-2-1-6(14-7)5-3-13-8(12)10-5/h1-4H,(H,9,11)(H,10,12)
InChIKeyHLJGTOWOGQGDIK-UHFFFAOYSA-N
XLogP3.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide?
The IUPAC name of N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide (CID 175145092) is N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide.
What is the SMILES notation for N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide?
The canonical SMILES for N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide is O=CNc1ccc(-c2csc(=S)[nH]2)s1.
What is the InChIKey of N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide?
The InChIKey is HLJGTOWOGQGDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS3/c11-4-9-7-2-1-6(14-7)5-3-13-8(12)10-5/h1-4H,(H,9,11)(H,10,12).
What are the key properties of N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide?
N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide has a molecular weight of 242.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophen-2-yl]formamide is sourced from PubChem (CID 175145092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).