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

C14H12ClN3S2 — CID 133467240

IUPAC5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccccc2Cl)s1)c1cccs1
InChIInChI=1S/C14H12ClN3S2/c1-9(12-7-4-8-19-12)16-14-18-17-13(20-14)10-5-2-3-6-11(10)15/h2-9H,1H3,(H,16,18)
InChIKeyCYJDUQGDPILVCO-UHFFFAOYSA-N
MW321.86 g/mol
LogP5.09
Rot. Bonds4

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

5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133467240) has the molecular formula C14H12ClN3S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133467240
Molecular FormulaC14H12ClN3S2
Molecular Weight321.86 g/mol
Exact Mass321.02
IUPAC Name5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(-c2ccccc2Cl)s1)c1cccs1
InChIInChI=1S/C14H12ClN3S2/c1-9(12-7-4-8-19-12)16-14-18-17-13(20-14)10-5-2-3-6-11(10)15/h2-9H,1H3,(H,16,18)
InChIKeyCYJDUQGDPILVCO-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.86
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 133468283
5-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 13169826
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 122060563
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133467710
(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile
CID 164662938
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 133467240) is 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(-c2ccccc2Cl)s1)c1cccs1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CYJDUQGDPILVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S2/c1-9(12-7-4-8-19-12)16-14-18-17-13(20-14)10-5-2-3-6-11(10)15/h2-9H,1H3,(H,16,18).
What are the key properties of 5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 321.86 g/mol, XLogP of 5.09, 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-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).