4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

C11H17N7S2 — CID 62188753

IUPAC4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1nnnn1C1CCCC1
InChIInChI=1S/C11H17N7S2/c1-2-12-10-9(13-17-20-10)7-19-11-14-15-16-18(11)8-5-3-4-6-8/h8,12H,2-7H2,1H3
InChIKeyXJSAZANNUZUIKG-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.36
Rot. Bonds6

About 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (PubChem CID 62188753) has the molecular formula C11H17N7S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
PubChem CID62188753
Molecular FormulaC11H17N7S2
Molecular Weight311.44 g/mol
Exact Mass311.10
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1nnnn1C1CCCC1
InChIInChI=1S/C11H17N7S2/c1-2-12-10-9(13-17-20-10)7-19-11-14-15-16-18(11)8-5-3-4-6-8/h8,12H,2-7H2,1H3
InChIKeyXJSAZANNUZUIKG-UHFFFAOYSA-N
XLogP2.36
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188403
5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059756
4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62883131
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774044
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62370305
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
4-(cyclohexyloxymethyl)-N-ethylthiadiazol-5-amine
CID 62194902
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
5-[2-(bromomethyl)-3-methylbutyl]sulfanyl-1-cyclopentyltetrazole
CID 65011776

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (CID 62188753) is 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CSc1nnnn1C1CCCC1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The InChIKey is XJSAZANNUZUIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S2/c1-2-12-10-9(13-17-20-10)7-19-11-14-15-16-18(11)8-5-3-4-6-8/h8,12H,2-7H2,1H3.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine has a molecular weight of 311.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62188753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).