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

C10H9Cl2N3S — CID 107648838

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nncs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3S/c1-6(14-10-15-13-5-16-10)8-4-7(11)2-3-9(8)12/h2-6H,1H3,(H,14,15)
InChIKeyUKZGQCYBDGQATB-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.02
Rot. Bonds3

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

N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648838) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648838
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nncs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3S/c1-6(14-10-15-13-5-16-10)8-4-7(11)2-3-9(8)12/h2-6H,1H3,(H,14,15)
InChIKeyUKZGQCYBDGQATB-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648720
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107648838) is N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(Nc1nncs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UKZGQCYBDGQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c1-6(14-10-15-13-5-16-10)8-4-7(11)2-3-9(8)12/h2-6H,1H3,(H,14,15).
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 274.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).