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

C14H14ClN5S — CID 4179919

IUPACN-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(CCc2nnc(Nc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C14H14ClN5S/c1-10-8-16-20(9-10)6-5-13-18-19-14(21-13)17-12-4-2-3-11(15)7-12/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyUWAOKFGDZSMRBC-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.68
Rot. Bonds5

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

N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 4179919) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID4179919
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC NameN-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(CCc2nnc(Nc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C14H14ClN5S/c1-10-8-16-20(9-10)6-5-13-18-19-14(21-13)17-12-4-2-3-11(15)7-12/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyUWAOKFGDZSMRBC-UHFFFAOYSA-N
XLogP3.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 4179919) is N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cnn(CCc2nnc(Nc3cccc(Cl)c3)s2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UWAOKFGDZSMRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5S/c1-10-8-16-20(9-10)6-5-13-18-19-14(21-13)17-12-4-2-3-11(15)7-12/h2-4,7-9H,5-6H2,1H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 319.82 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4179919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).