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

C13H14ClN3S — CID 65271478

IUPACN-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-8(10-3-2-4-11(14)7-10)15-13-16-12(17-18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyJEBDYPNGUXXQNH-UHFFFAOYSA-N
MW279.80 g/mol
LogP4.24
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271478) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65271478
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3S/c1-8(10-3-2-4-11(14)7-10)15-13-16-12(17-18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyJEBDYPNGUXXQNH-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277160
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103943106
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65271478) is N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JEBDYPNGUXXQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-8(10-3-2-4-11(14)7-10)15-13-16-12(17-18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 279.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).