2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C13H19N7OS2 — CID 3192306

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CCCCC2)s1
InChIInChI=1S/C13H19N7OS2/c1-2-11-15-16-12(23-11)14-10(21)8-22-13-17-18-19-20(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,14,16,21)
InChIKeyNUXMRHQCCFZXTL-UHFFFAOYSA-N
MW353.48 g/mol
LogP2.32
Rot. Bonds6

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3192306) has the molecular formula C13H19N7OS2 and a molecular weight of 353.48 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3192306
Molecular FormulaC13H19N7OS2
Molecular Weight353.48 g/mol
Exact Mass353.11
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CCCCC2)s1
InChIInChI=1S/C13H19N7OS2/c1-2-11-15-16-12(23-11)14-10(21)8-22-13-17-18-19-20(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,14,16,21)
InChIKeyNUXMRHQCCFZXTL-UHFFFAOYSA-N
XLogP2.32
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.32
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
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651054
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 652927
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 3212972
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2064397
2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3169639
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3762721
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 6465480
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9483894
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 23941553
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47136388
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47137294

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3192306) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nnnn2C2CCCCC2)s1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NUXMRHQCCFZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS2/c1-2-11-15-16-12(23-11)14-10(21)8-22-13-17-18-19-20(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,14,16,21).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3192306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).