N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C14H15N5OS — CID 110385704

IUPACN-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1C
InChIInChI=1S/C14H15N5OS/c1-9-3-4-11(7-10(9)2)16-12(20)5-6-13-18-19-8-15-17-14(19)21-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,20)
InChIKeySGDILWBMQDUPJW-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.37
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385704) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385704
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1C
InChIInChI=1S/C14H15N5OS/c1-9-3-4-11(7-10(9)2)16-12(20)5-6-13-18-19-8-15-17-14(19)21-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,20)
InChIKeySGDILWBMQDUPJW-UHFFFAOYSA-N
XLogP2.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385697
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385800
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385766
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
3,4-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110401598
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
2-(2-methylphenyl)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110672973
N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385567
N-(3,4-dimethylphenyl)-3-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)propanamide
CID 15988278
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
N-(3,4-dimethylphenyl)-3-(1H-pyrrol-2-yl)propanamide
CID 110685236

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385704) is N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is Cc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is SGDILWBMQDUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-3-4-11(7-10(9)2)16-12(20)5-6-13-18-19-8-15-17-14(19)21-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 301.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).