N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C14H15N5OS — CID 110384683

IUPACN-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C14H15N5OS/c1-8(2)10-6-4-5-9(3)11(10)16-12(20)13-18-19-7-15-17-14(19)21-13/h4-8H,1-3H3,(H,16,20)
InChIKeyBDOJYXDILOZPFU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.87
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384683) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384683
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C14H15N5OS/c1-8(2)10-6-4-5-9(3)11(10)16-12(20)13-18-19-7-15-17-14(19)21-13/h4-8H,1-3H3,(H,16,20)
InChIKeyBDOJYXDILOZPFU-UHFFFAOYSA-N
XLogP2.87
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041
3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26691237
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
5-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 82546319
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-5-carboxamide
CID 65356006
N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384743
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384683) is N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1nn2cnnc2s1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is BDOJYXDILOZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(2)10-6-4-5-9(3)11(10)16-12(20)13-18-19-7-15-17-14(19)21-13/h4-8H,1-3H3,(H,16,20).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).