N,N-diphenyl-1,2,3-benzothiadiazol-4-amine

C18H13N3S — CID 68541570

IUPACN,N-diphenyl-1,2,3-benzothiadiazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3snnc23)cc1
InChIInChI=1S/C18H13N3S/c1-3-8-14(9-4-1)21(15-10-5-2-6-11-15)16-12-7-13-17-18(16)19-20-22-17/h1-13H
InChIKeyWLPWGBDZHOITQL-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.16
Rot. Bonds3

About N,N-diphenyl-1,2,3-benzothiadiazol-4-amine

N,N-diphenyl-1,2,3-benzothiadiazol-4-amine (PubChem CID 68541570) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N,N-diphenyl-1,2,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN,N-diphenyl-1,2,3-benzothiadiazol-4-amine
PubChem CID68541570
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC NameN,N-diphenyl-1,2,3-benzothiadiazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3snnc23)cc1
InChIInChI=1S/C18H13N3S/c1-3-8-14(9-4-1)21(15-10-5-2-6-11-15)16-12-7-13-17-18(16)19-20-22-17/h1-13H
InChIKeyWLPWGBDZHOITQL-UHFFFAOYSA-N
XLogP5.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N,N-diphenylaniline;ethene
CID 135186601
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenylnaphthalen-1-amine
CID 11392281
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-phenyl-N-(4-phenylphenyl)-19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060583
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988979
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
2,3-diiodo-N,N-diphenylaniline
CID 66868227

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1,2,3-benzothiadiazol-4-amine?
The IUPAC name of N,N-diphenyl-1,2,3-benzothiadiazol-4-amine (CID 68541570) is N,N-diphenyl-1,2,3-benzothiadiazol-4-amine.
What is the SMILES notation for N,N-diphenyl-1,2,3-benzothiadiazol-4-amine?
The canonical SMILES for N,N-diphenyl-1,2,3-benzothiadiazol-4-amine is c1ccc(N(c2ccccc2)c2cccc3snnc23)cc1.
What is the InChIKey of N,N-diphenyl-1,2,3-benzothiadiazol-4-amine?
The InChIKey is WLPWGBDZHOITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-3-8-14(9-4-1)21(15-10-5-2-6-11-15)16-12-7-13-17-18(16)19-20-22-17/h1-13H.
What are the key properties of N,N-diphenyl-1,2,3-benzothiadiazol-4-amine?
N,N-diphenyl-1,2,3-benzothiadiazol-4-amine has a molecular weight of 303.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1,2,3-benzothiadiazol-4-amine is sourced from PubChem (CID 68541570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).