N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide

C19H24N4OS2 — CID 24650892

IUPACN-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nn(CN(C)C2CCc3ccccc32)c(=S)s1)C1CC1
InChIInChI=1S/C19H24N4OS2/c1-3-17(24)23(14-9-10-14)18-20-22(19(25)26-18)12-21(2)16-11-8-13-6-4-5-7-15(13)16/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyIEYBBKAZBRNCLJ-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.16
Rot. Bonds6

About N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide

N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 24650892) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID24650892
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nn(CN(C)C2CCc3ccccc32)c(=S)s1)C1CC1
InChIInChI=1S/C19H24N4OS2/c1-3-17(24)23(14-9-10-14)18-20-22(19(25)26-18)12-21(2)16-11-8-13-6-4-5-7-15(13)16/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyIEYBBKAZBRNCLJ-UHFFFAOYSA-N
XLogP4.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
CID 9232049
N-cyclopropyl-N-[4-[[(4S)-4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
CID 9320934
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione
CID 24650772
3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione
CID 42943995
3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 30598182
5-(4-chlorophenyl)-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-4-methyl-1,2,4-triazole-3-thione
CID 24650823
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]phthalazin-1-one
CID 36503075
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-4-propyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24650872
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
CID 24650861
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide (CID 24650892) is N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(c1nn(CN(C)C2CCc3ccccc32)c(=S)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is IEYBBKAZBRNCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-3-17(24)23(14-9-10-14)18-20-22(19(25)26-18)12-21(2)16-11-8-13-6-4-5-7-15(13)16/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide?
N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 388.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 24650892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).