2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole

C12H11N5S2 — CID 18709357

IUPAC2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnn(Cc3ccccc3)n2)n1
InChIInChI=1S/C12H11N5S2/c1-9-8-18-12(13-9)19-11-14-16-17(15-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyUINUDADJAFPJIT-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole

2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole (PubChem CID 18709357) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
PubChem CID18709357
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnn(Cc3ccccc3)n2)n1
InChIInChI=1S/C12H11N5S2/c1-9-8-18-12(13-9)19-11-14-16-17(15-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyUINUDADJAFPJIT-UHFFFAOYSA-N
XLogP2.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole (CID 18709357) is 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole is Cc1csc(Sc2nnn(Cc3ccccc3)n2)n1.
What is the InChIKey of 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is UINUDADJAFPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-9-8-18-12(13-9)19-11-14-16-17(15-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 289.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 18709357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).