1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide

C16H18N4O2S — CID 30587992

IUPAC1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)s1
InChIInChI=1S/C16H18N4O2S/c1-3-4-14-18-19-16(23-14)17-15(22)12-5-6-13-11(9-12)7-8-20(13)10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19,22)
InChIKeyOLLMBWGPFCYERW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.65
Rot. Bonds4

About 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 30587992) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID30587992
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)s1
InChIInChI=1S/C16H18N4O2S/c1-3-4-14-18-19-16(23-14)17-15(22)12-5-6-13-11(9-12)7-8-20(13)10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19,22)
InChIKeyOLLMBWGPFCYERW-UHFFFAOYSA-N
XLogP2.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 35997003
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide (CID 30587992) is 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide is CCCc1nnc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)s1.
What is the InChIKey of 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is OLLMBWGPFCYERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-4-14-18-19-16(23-14)17-15(22)12-5-6-13-11(9-12)7-8-20(13)10(2)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19,22).
What are the key properties of 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30587992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).