N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine

C17H13ClN4S — CID 70696977

IUPACN-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)c2ccccc21
InChIInChI=1S/C17H13ClN4S/c1-22-10-14(13-4-2-3-5-15(13)22)16-20-21-17(23-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,21)
InChIKeyWZWXZGGAUJPYSE-UHFFFAOYSA-N
MW340.84 g/mol
LogP5.09
Rot. Bonds3

About N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine

N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 70696977) has the molecular formula C17H13ClN4S and a molecular weight of 340.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID70696977
Molecular FormulaC17H13ClN4S
Molecular Weight340.84 g/mol
Exact Mass340.05
IUPAC NameN-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)c2ccccc21
InChIInChI=1S/C17H13ClN4S/c1-22-10-14(13-4-2-3-5-15(13)22)16-20-21-17(23-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,21)
InChIKeyWZWXZGGAUJPYSE-UHFFFAOYSA-N
XLogP5.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine (CID 70696977) is N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine is Cn1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WZWXZGGAUJPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4S/c1-22-10-14(13-4-2-3-5-15(13)22)16-20-21-17(23-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine?
N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 340.84 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(1-methylindol-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 70696977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).