2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C10H15N7OS2 — CID 651054

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-4-17-10(14-15-16-17)19-5-7(18)11-9-13-12-8(20-9)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18)
InChIKeyIBRNSDVPPYDZDL-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.40
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 651054) has the molecular formula C10H15N7OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID651054
Molecular FormulaC10H15N7OS2
Molecular Weight313.41 g/mol
Exact Mass313.08
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C10H15N7OS2/c1-4-17-10(14-15-16-17)19-5-7(18)11-9-13-12-8(20-9)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18)
InChIKeyIBRNSDVPPYDZDL-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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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3152696
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 652927
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 767229
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 4106605
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 582165
2-[(4-Methyl-4H-1,2,4-triazol-3-YL)sulfanyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-YL)acetamide
CID 712472
2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 855315
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860731
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2982207
2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2992128
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3150652
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3192306

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 651054) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IBRNSDVPPYDZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS2/c1-4-17-10(14-15-16-17)19-5-7(18)11-9-13-12-8(20-9)6(2)3/h6H,4-5H2,1-3H3,(H,11,13,18).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide 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 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 651054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).