N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

C15H16N4O2S — CID 108797970

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc3c(c2)CC(=O)N3)s1
InChIInChI=1S/C15H16N4O2S/c1-8(2)5-13-18-19-15(22-13)17-14(21)9-3-4-11-10(6-9)7-12(20)16-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyNLPFPAPMYWFCEP-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.48
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108797970) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108797970
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc3c(c2)CC(=O)N3)s1
InChIInChI=1S/C15H16N4O2S/c1-8(2)5-13-18-19-15(22-13)17-14(21)9-3-4-11-10(6-9)7-12(20)16-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyNLPFPAPMYWFCEP-UHFFFAOYSA-N
XLogP2.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938281
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055670
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 48599164
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 113233248
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24529128
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24647690
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108797970) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is CC(C)Cc1nnc(NC(=O)c2ccc3c(c2)CC(=O)N3)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is NLPFPAPMYWFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-8(2)5-13-18-19-15(22-13)17-14(21)9-3-4-11-10(6-9)7-12(20)16-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108797970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).