N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide

C16H14N6O2S — CID 162632240

IUPACN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)c3nn(C)c4ccccc34)o2)s1
InChIInChI=1S/C16H14N6O2S/c1-8-13(25-9(2)17-8)15-19-20-16(24-15)18-14(23)12-10-6-4-5-7-11(10)22(3)21-12/h4-7H,1-3H3,(H,18,20,23)
InChIKeyILISJGOUZGBYNJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.95
Rot. Bonds3

About N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide

N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide (PubChem CID 162632240) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide
PubChem CID162632240
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)c3nn(C)c4ccccc34)o2)s1
InChIInChI=1S/C16H14N6O2S/c1-8-13(25-9(2)17-8)15-19-20-16(24-15)18-14(23)12-10-6-4-5-7-11(10)22(3)21-12/h4-7H,1-3H3,(H,18,20,23)
InChIKeyILISJGOUZGBYNJ-UHFFFAOYSA-N
XLogP2.95
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide (CID 162632240) is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide is Cc1nc(C)c(-c2nnc(NC(=O)c3nn(C)c4ccccc34)o2)s1.
What is the InChIKey of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide?
The InChIKey is ILISJGOUZGBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-8-13(25-9(2)17-8)15-19-20-16(24-15)18-14(23)12-10-6-4-5-7-11(10)22(3)21-12/h4-7H,1-3H3,(H,18,20,23).
What are the key properties of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide?
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 162632240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).