N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine

C19H19N7S — CID 134392849

IUPACN-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)cc(N2CCNCC2)c1
InChIInChI=1S/C19H19N7S/c1-2-13(11-16(3-1)26-8-6-20-7-9-26)18-24-25-19(27-18)22-15-4-5-17-14(10-15)12-21-23-17/h1-5,10-12,20H,6-9H2,(H,21,23)(H,22,25)
InChIKeyLNKUQRDLPKAFNI-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.23
Rot. Bonds4

About N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 134392849) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID134392849
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC NameN-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)cc(N2CCNCC2)c1
InChIInChI=1S/C19H19N7S/c1-2-13(11-16(3-1)26-8-6-20-7-9-26)18-24-25-19(27-18)22-15-4-5-17-14(10-15)12-21-23-17/h1-5,10-12,20H,6-9H2,(H,21,23)(H,22,25)
InChIKeyLNKUQRDLPKAFNI-UHFFFAOYSA-N
XLogP3.23
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine (CID 134392849) is N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine is c1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)cc(N2CCNCC2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LNKUQRDLPKAFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-2-13(11-16(3-1)26-8-6-20-7-9-26)18-24-25-19(27-18)22-15-4-5-17-14(10-15)12-21-23-17/h1-5,10-12,20H,6-9H2,(H,21,23)(H,22,25).
What are the key properties of N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 377.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-(3-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 134392849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).