1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine

C16H14ClN5OS — CID 166184900

IUPAC1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(-c3nc(C(C)N)no3)cc12
InChIInChI=1S/C16H14ClN5OS/c1-8(18)14-19-15(23-21-14)13-7-12-9(2)20-22(16(12)24-13)11-5-3-4-10(17)6-11/h3-8H,18H2,1-2H3
InChIKeyQPPSKMWWKORUJD-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.12
Rot. Bonds3

About 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 166184900) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID166184900
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(-c3nc(C(C)N)no3)cc12
InChIInChI=1S/C16H14ClN5OS/c1-8(18)14-19-15(23-21-14)13-7-12-9(2)20-22(16(12)24-13)11-5-3-4-10(17)6-11/h3-8H,18H2,1-2H3
InChIKeyQPPSKMWWKORUJD-UHFFFAOYSA-N
XLogP4.12
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
3-methyl-1,5-diphenylthieno[3,2-d]pyrazole
CID 101454475
2-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 139217553
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 50789601
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 80538772
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
[2-(diethylamino)-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2525175
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 24573312

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 166184900) is 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine is Cc1nn(-c2cccc(Cl)c2)c2sc(-c3nc(C(C)N)no3)cc12.
What is the InChIKey of 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QPPSKMWWKORUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-8(18)14-19-15(23-21-14)13-7-12-9(2)20-22(16(12)24-13)11-5-3-4-10(17)6-11/h3-8H,18H2,1-2H3.
What are the key properties of 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 359.84 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 166184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).