N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide

C19H18N4OS — CID 166362357

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1-c1nnsc1C(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C19H18N4OS/c1-12-4-2-3-5-16(12)17-18(25-23-22-17)19(24)21-9-13-6-7-14-10-20-11-15(14)8-13/h2-8,20H,9-11H2,1H3,(H,21,24)
InChIKeyHIAQZCOWVFAQCM-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.05
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 166362357) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide
PubChem CID166362357
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1-c1nnsc1C(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C19H18N4OS/c1-12-4-2-3-5-16(12)17-18(25-23-22-17)19(24)21-9-13-6-7-14-10-20-11-15(14)8-13/h2-8,20H,9-11H2,1H3,(H,21,24)
InChIKeyHIAQZCOWVFAQCM-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
CID 103403908
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 105357527
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzamide
CID 105357575
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
N-[(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-(2-methylphenyl)thiadiazole-5-carboxamide
CID 154855059
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 167947615
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide (CID 166362357) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide is Cc1ccccc1-c1nnsc1C(=O)NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is HIAQZCOWVFAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-4-2-3-5-16(12)17-18(25-23-22-17)19(24)21-9-13-6-7-14-10-20-11-15(14)8-13/h2-8,20H,9-11H2,1H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 166362357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).