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

C11H8ClN5S2 — CID 18707764

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
SMILESClc1cnc(Sc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C11H8ClN5S2/c12-9-6-13-11(18-9)19-10-14-15-16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyOGCDKNJTJOTMPA-UHFFFAOYSA-N
MW309.81 g/mol
LogP2.98
Rot. Bonds4

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

2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole (PubChem CID 18707764) has the molecular formula C11H8ClN5S2 and a molecular weight of 309.81 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
PubChem CID18707764
Molecular FormulaC11H8ClN5S2
Molecular Weight309.81 g/mol
Exact Mass308.99
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
SMILESClc1cnc(Sc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C11H8ClN5S2/c12-9-6-13-11(18-9)19-10-14-15-16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyOGCDKNJTJOTMPA-UHFFFAOYSA-N
XLogP2.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 52.98
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-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole (CID 18707764) is 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole is Clc1cnc(Sc2nnnn2Cc2ccccc2)s1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The InChIKey is OGCDKNJTJOTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S2/c12-9-6-13-11(18-9)19-10-14-15-16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole has a molecular weight of 309.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole is sourced from PubChem (CID 18707764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).