N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C12H11N3OS2 — CID 32868667

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C12H11N3OS2/c16-10(8-2-1-5-13-11(8)17)15-12-14-9(6-18-12)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,17)(H,14,15,16)
InChIKeyXEJMTGZPOWRJTJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.33
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 32868667) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID32868667
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C12H11N3OS2/c16-10(8-2-1-5-13-11(8)17)15-12-14-9(6-18-12)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,17)(H,14,15,16)
InChIKeyXEJMTGZPOWRJTJ-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134012243
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-3-carboxamide
CID 107358656
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32867357
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46536572
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39129852
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 32868667) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1ccc[nH]c1=S.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is XEJMTGZPOWRJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-10(8-2-1-5-13-11(8)17)15-12-14-9(6-18-12)7-3-4-7/h1-2,5-7H,3-4H2,(H,13,17)(H,14,15,16).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 32868667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).