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

C7H8ClN5S2 — CID 18709043

IUPAC5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCC(C)n1nnc(Sc2ncc(Cl)s2)n1
InChIInChI=1S/C7H8ClN5S2/c1-4(2)13-11-6(10-12-13)15-7-9-3-5(8)14-7/h3-4H,1-2H3
InChIKeyATQXHKXYKIAODT-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.52
Rot. Bonds3

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

5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18709043) has the molecular formula C7H8ClN5S2 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18709043
Molecular FormulaC7H8ClN5S2
Molecular Weight261.76 g/mol
Exact Mass260.99
IUPAC Name5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCC(C)n1nnc(Sc2ncc(Cl)s2)n1
InChIInChI=1S/C7H8ClN5S2/c1-4(2)13-11-6(10-12-13)15-7-9-3-5(8)14-7/h3-4H,1-2H3
InChIKeyATQXHKXYKIAODT-UHFFFAOYSA-N
XLogP2.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.52
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-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18709043) is 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole is CC(C)n1nnc(Sc2ncc(Cl)s2)n1.
What is the InChIKey of 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is ATQXHKXYKIAODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S2/c1-4(2)13-11-6(10-12-13)15-7-9-3-5(8)14-7/h3-4H,1-2H3.
What are the key properties of 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 261.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18709043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).