N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C11H8N4OS4 — CID 176585376

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cnc(-c3cccs3)s2)s1
InChIInChI=1S/C11H8N4OS4/c1-17-11-15-14-10(20-11)13-8(16)7-5-12-9(19-7)6-3-2-4-18-6/h2-5H,1H3,(H,13,14,16)
InChIKeyPYOAJJFVWBDCSW-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.70
Rot. Bonds4

About N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 176585376) has the molecular formula C11H8N4OS4 and a molecular weight of 340.48 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID176585376
Molecular FormulaC11H8N4OS4
Molecular Weight340.48 g/mol
Exact Mass339.96
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cnc(-c3cccs3)s2)s1
InChIInChI=1S/C11H8N4OS4/c1-17-11-15-14-10(20-11)13-8(16)7-5-12-9(19-7)6-3-2-4-18-6/h2-5H,1H3,(H,13,14,16)
InChIKeyPYOAJJFVWBDCSW-UHFFFAOYSA-N
XLogP3.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 176585376) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CSc1nnc(NC(=O)c2cnc(-c3cccs3)s2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PYOAJJFVWBDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS4/c1-17-11-15-14-10(20-11)13-8(16)7-5-12-9(19-7)6-3-2-4-18-6/h2-5H,1H3,(H,13,14,16).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 340.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).