N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H15N7OS2 — CID 9483894

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-10(2,3)7-12-13-8(20-7)11-6(18)5-19-9-14-15-16-17(9)4/h5H2,1-4H3,(H,11,13,18)
InChIKeyHLFONIHLVMOGRC-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.09
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 9483894) has the molecular formula C10H15N7OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID9483894
Molecular FormulaC10H15N7OS2
Molecular Weight313.41 g/mol
Exact Mass313.08
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-10(2,3)7-12-13-8(20-7)11-6(18)5-19-9-14-15-16-17(9)4/h5H2,1-4H3,(H,11,13,18)
InChIKeyHLFONIHLVMOGRC-UHFFFAOYSA-N
XLogP1.09
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 9483894) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HLFONIHLVMOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS2/c1-10(2,3)7-12-13-8(20-7)11-6(18)5-19-9-14-15-16-17(9)4/h5H2,1-4H3,(H,11,13,18).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 313.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9483894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).