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

C10H6ClN5S2 — CID 18708464

IUPAC5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESClc1cnc(Sc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C10H6ClN5S2/c11-8-6-12-10(17-8)18-9-13-14-15-16(9)7-4-2-1-3-5-7/h1-6H
InChIKeyYJHDJAOBFURAMI-UHFFFAOYSA-N
MW295.78 g/mol
LogP2.92
Rot. Bonds3

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

5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708464) has the molecular formula C10H6ClN5S2 and a molecular weight of 295.78 g/mol. Its IUPAC name is 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708464
Molecular FormulaC10H6ClN5S2
Molecular Weight295.78 g/mol
Exact Mass294.98
IUPAC Name5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESClc1cnc(Sc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C10H6ClN5S2/c11-8-6-12-10(17-8)18-9-13-14-15-16(9)7-4-2-1-3-5-7/h1-6H
InChIKeyYJHDJAOBFURAMI-UHFFFAOYSA-N
XLogP2.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 52.92
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 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708464) is 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is Clc1cnc(Sc2nnnn2-c2ccccc2)s1.
What is the InChIKey of 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is YJHDJAOBFURAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5S2/c11-8-6-12-10(17-8)18-9-13-14-15-16(9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 295.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).