N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine

C16H13ClN6S — CID 145146620

IUPACN-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C16H13ClN6S/c1-18-10-4-2-3-9(7-10)15-22-23-16(24-15)20-13-6-5-12-11(14(13)17)8-19-21-12/h2-8,18H,1H3,(H,19,21)(H,20,23)
InChIKeyXLQWGKXIYAGHTM-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.52
Rot. Bonds4

About N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine

N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 145146620) has the molecular formula C16H13ClN6S and a molecular weight of 356.84 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID145146620
Molecular FormulaC16H13ClN6S
Molecular Weight356.84 g/mol
Exact Mass356.06
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C16H13ClN6S/c1-18-10-4-2-3-9(7-10)15-22-23-16(24-15)20-13-6-5-12-11(14(13)17)8-19-21-12/h2-8,18H,1H3,(H,19,21)(H,20,23)
InChIKeyXLQWGKXIYAGHTM-UHFFFAOYSA-N
XLogP4.52
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine (CID 145146620) is N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine is CNc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XLQWGKXIYAGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6S/c1-18-10-4-2-3-9(7-10)15-22-23-16(24-15)20-13-6-5-12-11(14(13)17)8-19-21-12/h2-8,18H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 356.84 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 145146620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).