N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C10H15N7OS2 — CID 3212972

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-4-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18)
InChIKeyVLWDZEPKMPXQLO-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.40
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212972) has the molecular formula C10H15N7OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID3212972
Molecular FormulaC10H15N7OS2
Molecular Weight313.41 g/mol
Exact Mass313.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-4-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18)
InChIKeyVLWDZEPKMPXQLO-UHFFFAOYSA-N
XLogP1.40
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 3212972) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CCc1nnc(NC(=O)CSc2nnnn2C(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VLWDZEPKMPXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS2/c1-4-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 313.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).