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

C13H16ClN3OS — CID 133352584

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3OS/c1-9(10-4-3-5-11(14)8-10)15-13-16-12(17-19-13)6-7-18-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyPXFUJPXWRFLHCD-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.55
Rot. Bonds6

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

N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133352584) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133352584
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3OS/c1-9(10-4-3-5-11(14)8-10)15-13-16-12(17-19-13)6-7-18-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyPXFUJPXWRFLHCD-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133369815
N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133335089
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 133352584) is N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PXFUJPXWRFLHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-9(10-4-3-5-11(14)8-10)15-13-16-12(17-19-13)6-7-18-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 297.81 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).