5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole

C19H13ClN6S2 — CID 2999395

IUPAC5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C19H13ClN6S2/c20-14-6-8-15(9-7-14)26-19(22-23-24-26)28-12-16-17(13-4-2-1-3-5-13)21-18-25(16)10-11-27-18/h1-11H,12H2
InChIKeyPPAKJFFVFDRMHQ-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.98
Rot. Bonds5

About 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole

5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 2999395) has the molecular formula C19H13ClN6S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID2999395
Molecular FormulaC19H13ClN6S2
Molecular Weight424.94 g/mol
Exact Mass424.03
IUPAC Name5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C19H13ClN6S2/c20-14-6-8-15(9-7-14)26-19(22-23-24-26)28-12-16-17(13-4-2-1-3-5-13)21-18-25(16)10-11-27-18/h1-11H,12H2
InChIKeyPPAKJFFVFDRMHQ-UHFFFAOYSA-N
XLogP4.98
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole (CID 2999395) is 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole is Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PPAKJFFVFDRMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6S2/c20-14-6-8-15(9-7-14)26-19(22-23-24-26)28-12-16-17(13-4-2-1-3-5-13)21-18-25(16)10-11-27-18/h1-11H,12H2.
What are the key properties of 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 424.94 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2999395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).