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

C14H12N4OS2 — CID 509754

IUPACN-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(NC2CC2)s1)c1cc2ccccc2s1
InChIInChI=1S/C14H12N4OS2/c19-12(11-7-8-3-1-2-4-10(8)20-11)16-14-18-17-13(21-14)15-9-5-6-9/h1-4,7,9H,5-6H2,(H,15,17)(H,16,18,19)
InChIKeyLDNYCTIEVFVVOL-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.58
Rot. Bonds4

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

N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 509754) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID509754
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC NameN-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nnc(NC2CC2)s1)c1cc2ccccc2s1
InChIInChI=1S/C14H12N4OS2/c19-12(11-7-8-3-1-2-4-10(8)20-11)16-14-18-17-13(21-14)15-9-5-6-9/h1-4,7,9H,5-6H2,(H,15,17)(H,16,18,19)
InChIKeyLDNYCTIEVFVVOL-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 509904
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
N-[5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 42578596
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 61406615
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 509754) is N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1nnc(NC2CC2)s1)c1cc2ccccc2s1.
What is the InChIKey of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is LDNYCTIEVFVVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c19-12(11-7-8-3-1-2-4-10(8)20-11)16-14-18-17-13(21-14)15-9-5-6-9/h1-4,7,9H,5-6H2,(H,15,17)(H,16,18,19).
What are the key properties of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide?
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 509754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).