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

C7H8ClN5S2 — CID 18707829

IUPAC5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C7H8ClN5S2/c1-2-3-13-6(10-11-12-13)15-7-9-4-5(8)14-7/h4H,2-3H2,1H3
InChIKeyKHBPRTPKQCWKSL-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.34
Rot. Bonds4

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

5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18707829) has the molecular formula C7H8ClN5S2 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18707829
Molecular FormulaC7H8ClN5S2
Molecular Weight261.76 g/mol
Exact Mass260.99
IUPAC Name5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C7H8ClN5S2/c1-2-3-13-6(10-11-12-13)15-7-9-4-5(8)14-7/h4H,2-3H2,1H3
InChIKeyKHBPRTPKQCWKSL-UHFFFAOYSA-N
XLogP2.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.34
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-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18707829) is 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is CCCn1nnnc1Sc1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is KHBPRTPKQCWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S2/c1-2-3-13-6(10-11-12-13)15-7-9-4-5(8)14-7/h4H,2-3H2,1H3.
What are the key properties of 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 261.76 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18707829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).