4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide

C18H14N6OS2 — CID 980323

IUPAC4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H14N6OS2/c25-16(20-17-19-10-11-26-17)14-8-6-13(7-9-14)12-27-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,19,20,25)
InChIKeyRFZXFRNIJVQHEC-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.66
Rot. Bonds6

About 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide

4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 980323) has the molecular formula C18H14N6OS2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID980323
Molecular FormulaC18H14N6OS2
Molecular Weight394.49 g/mol
Exact Mass394.07
IUPAC Name4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H14N6OS2/c25-16(20-17-19-10-11-26-17)14-8-6-13(7-9-14)12-27-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,19,20,25)
InChIKeyRFZXFRNIJVQHEC-UHFFFAOYSA-N
XLogP3.66
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide (CID 980323) is 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RFZXFRNIJVQHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS2/c25-16(20-17-19-10-11-26-17)14-8-6-13(7-9-14)12-27-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,19,20,25).
What are the key properties of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide?
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 394.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 980323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).