N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

C12H15N3S2 — CID 25198763

IUPACN-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc3c(s2)CCCC3)s1
InChIInChI=1S/C12H15N3S2/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h7H,2-6H2,1H3,(H,13,15)
InChIKeyNZTQQARRIRGKPL-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.58
Rot. Bonds3

About N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 25198763) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID25198763
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc3c(s2)CCCC3)s1
InChIInChI=1S/C12H15N3S2/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h7H,2-6H2,1H3,(H,13,15)
InChIKeyNZTQQARRIRGKPL-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine (CID 25198763) is N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cc3c(s2)CCCC3)s1.
What is the InChIKey of N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NZTQQARRIRGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25198763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).