2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide

C14H19N5OS — CID 51258381

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)15-12(20)10-21-13-16-17-18-19(13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,20)
InChIKeyGOEXETMIYIGKQS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.73
Rot. Bonds5

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide (PubChem CID 51258381) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
PubChem CID51258381
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)15-12(20)10-21-13-16-17-18-19(13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,20)
InChIKeyGOEXETMIYIGKQS-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide (CID 51258381) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide is CC(C)(C)NC(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide?
The InChIKey is GOEXETMIYIGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)15-12(20)10-21-13-16-17-18-19(13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,20).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide is sourced from PubChem (CID 51258381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).