N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

C14H10N4OS2 — CID 103933793

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc2sc(-c3ccc(CNc4nncs4)o3)nc2c1
InChIInChI=1S/C14H10N4OS2/c1-2-4-12-10(3-1)17-13(21-12)11-6-5-9(19-11)7-15-14-18-16-8-20-14/h1-6,8H,7H2,(H,15,18)
InChIKeyFGYLQUGEMSDRTO-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.02
Rot. Bonds4

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933793) has the molecular formula C14H10N4OS2 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933793
Molecular FormulaC14H10N4OS2
Molecular Weight314.40 g/mol
Exact Mass314.03
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc2sc(-c3ccc(CNc4nncs4)o3)nc2c1
InChIInChI=1S/C14H10N4OS2/c1-2-4-12-10(3-1)17-13(21-12)11-6-5-9(19-11)7-15-14-18-16-8-20-14/h1-6,8H,7H2,(H,15,18)
InChIKeyFGYLQUGEMSDRTO-UHFFFAOYSA-N
XLogP4.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylbutan-1-amine
CID 62693051
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965981
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline
CID 112839057
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 103933793) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine is c1ccc2sc(-c3ccc(CNc4nncs4)o3)nc2c1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FGYLQUGEMSDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS2/c1-2-4-12-10(3-1)17-13(21-12)11-6-5-9(19-11)7-15-14-18-16-8-20-14/h1-6,8H,7H2,(H,15,18).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 314.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).