N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine

C15H12ClN3S — CID 118230857

IUPACN-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H12ClN3S/c1-10-8-12(4-7-14(10)16)11-2-5-13(6-3-11)18-15-19-17-9-20-15/h2-9H,1H3,(H,18,19)
InChIKeyAKIMVRSLWGENAC-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.91
Rot. Bonds3

About N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine

N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 118230857) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID118230857
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC NameN-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H12ClN3S/c1-10-8-12(4-7-14(10)16)11-2-5-13(6-3-11)18-15-19-17-9-20-15/h2-9H,1H3,(H,18,19)
InChIKeyAKIMVRSLWGENAC-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 73295563
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 73295565
2-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 118222194
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2495489
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 7754429
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine
CID 7891267
2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 90035948
N-[4-[(4-chloro-3-methylphenyl)methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 118230854
(4-Chloro-3-methylphenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
CID 118230856
N-[4-[(4-chlorophenyl)methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 148587480
5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 2401325
5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 3908039

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 118230857) is N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine is Cc1cc(-c2ccc(Nc3nncs3)cc2)ccc1Cl.
What is the InChIKey of N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AKIMVRSLWGENAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-10-8-12(4-7-14(10)16)11-2-5-13(6-3-11)18-15-19-17-9-20-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118230857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).