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

C14H19N3S2 — CID 106260958

IUPAC5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCc3sccc32)s1
InChIInChI=1S/C14H19N3S2/c1-9(2)8-13-16-17-14(19-13)15-11-4-3-5-12-10(11)6-7-18-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17)
InChIKeySIIXLESARYSCKW-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.29
Rot. Bonds4

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

5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260958) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID106260958
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCc3sccc32)s1
InChIInChI=1S/C14H19N3S2/c1-9(2)8-13-16-17-14(19-13)15-11-4-3-5-12-10(11)6-7-18-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17)
InChIKeySIIXLESARYSCKW-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine (CID 106260958) is 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCCc3sccc32)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SIIXLESARYSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-9(2)8-13-16-17-14(19-13)15-11-4-3-5-12-10(11)6-7-18-12/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).