N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide

C14H16N4OS — CID 84601084

IUPACN-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide
SMILESCC(C)N1Cc2cccc(NC(=O)c3cnns3)c2C1
InChIInChI=1S/C14H16N4OS/c1-9(2)18-7-10-4-3-5-12(11(10)8-18)16-14(19)13-6-15-17-20-13/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyQDHZCKVBGHRVDC-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.51
Rot. Bonds3

About N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide

N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide (PubChem CID 84601084) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide
PubChem CID84601084
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide
SMILESCC(C)N1Cc2cccc(NC(=O)c3cnns3)c2C1
InChIInChI=1S/C14H16N4OS/c1-9(2)18-7-10-4-3-5-12(11(10)8-18)16-14(19)13-6-15-17-20-13/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyQDHZCKVBGHRVDC-UHFFFAOYSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(thiadiazol-5-yl)methanone
CID 93621961
N-(2-fluoro-5-methylphenyl)thiadiazole-5-carboxamide
CID 47259759
N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide
CID 47259789
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiadiazole-5-carboxamide
CID 65214993
N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide
CID 65215147
N-(2-carbamothioyl-3-fluorophenyl)thiadiazole-5-carboxamide
CID 65215561
N-[4-amino-2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 65216094
N-[4-amino-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 65216309
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 65482803
N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 71916472
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide
CID 75518774
N-(2-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide
CID 82015434

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide (CID 84601084) is N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide is CC(C)N1Cc2cccc(NC(=O)c3cnns3)c2C1.
What is the InChIKey of N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide?
The InChIKey is QDHZCKVBGHRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9(2)18-7-10-4-3-5-12(11(10)8-18)16-14(19)13-6-15-17-20-13/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide?
N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-dihydroisoindol-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 84601084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).