N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

C19H14ClN7OS — CID 139482107

IUPACN-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nc(C)co2)cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)n1
InChIInChI=1S/C19H14ClN7OS/c1-9-5-11(18-23-10(2)8-28-18)6-15(22-9)17-25-19(29-27-17)24-14-4-3-13-12(16(14)20)7-21-26-13/h3-8H,1-2H3,(H,21,26)(H,24,25,27)
InChIKeyDMJVTTZZOSXLTO-UHFFFAOYSA-N
MW423.89 g/mol
LogP5.15
Rot. Bonds4

About N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 139482107) has the molecular formula C19H14ClN7OS and a molecular weight of 423.89 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID139482107
Molecular FormulaC19H14ClN7OS
Molecular Weight423.89 g/mol
Exact Mass423.07
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nc(C)co2)cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)n1
InChIInChI=1S/C19H14ClN7OS/c1-9-5-11(18-23-10(2)8-28-18)6-15(22-9)17-25-19(29-27-17)24-14-4-3-13-12(16(14)20)7-21-26-13/h3-8H,1-2H3,(H,21,26)(H,24,25,27)
InChIKeyDMJVTTZZOSXLTO-UHFFFAOYSA-N
XLogP5.15
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.89
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 139482107) is N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is Cc1cc(-c2nc(C)co2)cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)n1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DMJVTTZZOSXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7OS/c1-9-5-11(18-23-10(2)8-28-18)6-15(22-9)17-25-19(29-27-17)24-14-4-3-13-12(16(14)20)7-21-26-13/h3-8H,1-2H3,(H,21,26)(H,24,25,27).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 423.89 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-3-[6-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 139482107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).