2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole

C10H7N5S2 — CID 18708884

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESc1ccc(-n2nnnc2Sc2nccs2)cc1
InChIInChI=1S/C10H7N5S2/c1-2-4-8(5-3-1)15-9(12-13-14-15)17-10-11-6-7-16-10/h1-7H
InChIKeySQDVKUARDHJAQM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.27
Rot. Bonds3

About 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole

2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708884) has the molecular formula C10H7N5S2 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708884
Molecular FormulaC10H7N5S2
Molecular Weight261.34 g/mol
Exact Mass261.01
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESc1ccc(-n2nnnc2Sc2nccs2)cc1
InChIInChI=1S/C10H7N5S2/c1-2-4-8(5-3-1)15-9(12-13-14-15)17-10-11-6-7-16-10/h1-7H
InChIKeySQDVKUARDHJAQM-UHFFFAOYSA-N
XLogP2.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708884) is 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is c1ccc(-n2nnnc2Sc2nccs2)cc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is SQDVKUARDHJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5S2/c1-2-4-8(5-3-1)15-9(12-13-14-15)17-10-11-6-7-16-10/h1-7H.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 261.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).