N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine

C16H14ClN3S — CID 112812660

IUPACN-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3S/c1-11(12-7-9-14(17)10-8-12)18-16-20-19-15(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyLGYJVIJYURQVQK-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.03
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine

N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 112812660) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID112812660
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3S/c1-11(12-7-9-14(17)10-8-12)18-16-20-19-15(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyLGYJVIJYURQVQK-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260466
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625308
(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 139078628
N-[1-(4-chlorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65277166
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133201572
2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123928348
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine (CID 112812660) is N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LGYJVIJYURQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-11(12-7-9-14(17)10-8-12)18-16-20-19-15(21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 315.83 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 112812660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).