2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

C12H15N5OS2 — CID 17447802

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CSc1nnnn1C1CC1)c1cccs1
InChIInChI=1S/C12H15N5OS2/c1-8(10-3-2-6-19-10)13-11(18)7-20-12-14-15-16-17(12)9-4-5-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18)
InChIKeyXZGMZQWCLRZUPW-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.04
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 17447802) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID17447802
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CSc1nnnn1C1CC1)c1cccs1
InChIInChI=1S/C12H15N5OS2/c1-8(10-3-2-6-19-10)13-11(18)7-20-12-14-15-16-17(12)9-4-5-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18)
InChIKeyXZGMZQWCLRZUPW-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (CID 17447802) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CSc1nnnn1C1CC1)c1cccs1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is XZGMZQWCLRZUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-8(10-3-2-6-19-10)13-11(18)7-20-12-14-15-16-17(12)9-4-5-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17447802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).