2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline

C14H12N4S — CID 13107859

IUPAC2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)s1
InChIInChI=1S/C14H12N4S/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2
InChIKeyVNUXVYZUMFAYJK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.04
Rot. Bonds2

About 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline

2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline (PubChem CID 13107859) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
PubChem CID13107859
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline
SMILESNc1ccccc1-c1nnc(-c2ccccc2N)s1
InChIInChI=1S/C14H12N4S/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2
InChIKeyVNUXVYZUMFAYJK-UHFFFAOYSA-N
XLogP3.04
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-Aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45265550
N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 46933658
2-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107853
2-(5-Phenyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107855
4,4'-(1,3,4-Thiadiazole-2,5-diyl)dianiline
CID 19360655
2-[5-[Fluoro(oxan-4-ylidene)methyl]-1,3,4-thiadiazol-2-yl]aniline
CID 58148571
4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]aniline
CID 153617679
4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]aniline
CID 153617687
2-Fluoro-4-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]methyl]aniline
CID 156371064
5-[5-[(1S,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-yl]-2-methylaniline
CID 176617360
(2Z)-2-[(2-aminophenyl)(5-amino-1,3,4-thiadiazol-2-yl)methylidene]hydrazinecarbothioamide
CID 6869123
3-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline
CID 16763184

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The IUPAC name of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline (CID 13107859) is 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline.
What is the SMILES notation for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The canonical SMILES for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline is Nc1ccccc1-c1nnc(-c2ccccc2N)s1.
What is the InChIKey of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
The InChIKey is VNUXVYZUMFAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2.
What are the key properties of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline?
2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline has a molecular weight of 268.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]aniline is sourced from PubChem (CID 13107859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).