5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C15H12ClN3OS — CID 127033150

IUPAC5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-11-8-6-10(7-9-11)17-15-19-18-14(21-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)
InChIKeyBZNMTDLNBKDVPM-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.61
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 127033150) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID127033150
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-11-8-6-10(7-9-11)17-15-19-18-14(21-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)
InChIKeyBZNMTDLNBKDVPM-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
1-[5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 881040
4-[[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenol
CID 118611412
5-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride
CID 24789720
N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 127031835
N-phenyl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 166635118
1-(4-Ethoxyphenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1335419
N-Phenyl-N'-[4-[4-(2-methoxyphenyl)amino-1,3,4-thiadiazole-5-yl]phenyl]thiourea
CID 3002894
N-(3,4-dichlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 127031271
5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 127032407
N-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 127033153
4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 136000634

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 127033150) is 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BZNMTDLNBKDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-20-11-8-6-10(7-9-11)17-15-19-18-14(21-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19).
What are the key properties of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 317.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127033150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).