N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C11H8ClN5OS — CID 110384693

IUPACN-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C11H8ClN5OS/c1-6-4-7(12)2-3-8(6)14-9(18)10-16-17-5-13-15-11(17)19-10/h2-5H,1H3,(H,14,18)
InChIKeyNDQJZENKGBDCFZ-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.40
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384693) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384693
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC NameN-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nn2cnnc2s1
InChIInChI=1S/C11H8ClN5OS/c1-6-4-7(12)2-3-8(6)14-9(18)10-16-17-5-13-15-11(17)19-10/h2-5H,1H3,(H,14,18)
InChIKeyNDQJZENKGBDCFZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384752
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(2,6-diethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384682
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384724
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384949
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384693) is N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1nn2cnnc2s1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is NDQJZENKGBDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c1-6-4-7(12)2-3-8(6)14-9(18)10-16-17-5-13-15-11(17)19-10/h2-5H,1H3,(H,14,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 293.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).