5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine

C9H15N3S2 — CID 107647994

IUPAC5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCSCC2)s1
InChIInChI=1S/C9H15N3S2/c1-2-8-11-12-9(14-8)10-7-3-5-13-6-4-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyKFJMJTJYGYISKR-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.41
Rot. Bonds3

About 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647994) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107647994
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCSCC2)s1
InChIInChI=1S/C9H15N3S2/c1-2-8-11-12-9(14-8)10-7-3-5-13-6-4-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyKFJMJTJYGYISKR-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
N-(4,4-dimethylcycloheptyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647699
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807
N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647717
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648198
N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647648
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
5-ethyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107647698
5-ethyl-N-(2-propan-2-yloxan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648011
5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
CID 107647863
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647773

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine (CID 107647994) is 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCSCC2)s1.
What is the InChIKey of 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KFJMJTJYGYISKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-2-8-11-12-9(14-8)10-7-3-5-13-6-4-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).