N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide

C16H14N6OS2 — CID 510311

IUPACN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1cc2ccccc2s1
InChIInChI=1S/C16H14N6OS2/c23-14(13-7-10-3-1-2-4-12(10)24-13)20-16-22-21-15(25-16)18-6-5-11-8-17-9-19-11/h1-4,7-9H,5-6H2,(H,17,19)(H,18,21)(H,20,22,23)
InChIKeyWXTNIURGKVMHIV-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.38
Rot. Bonds6

About N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide

N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 510311) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID510311
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC NameN-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1cc2ccccc2s1
InChIInChI=1S/C16H14N6OS2/c23-14(13-7-10-3-1-2-4-12(10)24-13)20-16-22-21-15(25-16)18-6-5-11-8-17-9-19-11/h1-4,7-9H,5-6H2,(H,17,19)(H,18,21)(H,20,22,23)
InChIKeyWXTNIURGKVMHIV-UHFFFAOYSA-N
XLogP3.38
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 510311) is N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1cc2ccccc2s1.
What is the InChIKey of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is WXTNIURGKVMHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c23-14(13-7-10-3-1-2-4-12(10)24-13)20-16-22-21-15(25-16)18-6-5-11-8-17-9-19-11/h1-4,7-9H,5-6H2,(H,17,19)(H,18,21)(H,20,22,23).
What are the key properties of N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 510311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).