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

C8H10ClN5S2 — CID 18708642

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
SMILESCC(C)(C)n1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C8H10ClN5S2/c1-8(2,3)14-6(11-12-13-14)16-7-10-4-5(9)15-7/h4H,1-3H3
InChIKeyNWTACQQSDPHPLO-UHFFFAOYSA-N
MW275.79 g/mol
LogP2.69
Rot. Bonds2

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

2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole (PubChem CID 18708642) has the molecular formula C8H10ClN5S2 and a molecular weight of 275.79 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
PubChem CID18708642
Molecular FormulaC8H10ClN5S2
Molecular Weight275.79 g/mol
Exact Mass275.01
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
SMILESCC(C)(C)n1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C8H10ClN5S2/c1-8(2,3)14-6(11-12-13-14)16-7-10-4-5(9)15-7/h4H,1-3H3
InChIKeyNWTACQQSDPHPLO-UHFFFAOYSA-N
XLogP2.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.79
LogP ≤ 52.69
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-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole (CID 18708642) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole is CC(C)(C)n1nnnc1Sc1ncc(Cl)s1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
The InChIKey is NWTACQQSDPHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5S2/c1-8(2,3)14-6(11-12-13-14)16-7-10-4-5(9)15-7/h4H,1-3H3.
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole has a molecular weight of 275.79 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole is sourced from PubChem (CID 18708642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).