N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C16H15N3O2S — CID 98432232

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H15N3O2S/c20-14(19-16-18-12-6-3-7-13(12)22-16)8-10-9-4-1-2-5-11(9)17-15(10)21/h1-2,4-5,10H,3,6-8H2,(H,17,21)(H,18,19,20)/t10-/m0/s1
InChIKeyJODVJQQTIDBHOX-JTQLQIEISA-N
MW313.38 g/mol
LogP2.70
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 98432232) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID98432232
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H15N3O2S/c20-14(19-16-18-12-6-3-7-13(12)22-16)8-10-9-4-1-2-5-11(9)17-15(10)21/h1-2,4-5,10H,3,6-8H2,(H,17,21)(H,18,19,20)/t10-/m0/s1
InChIKeyJODVJQQTIDBHOX-JTQLQIEISA-N
XLogP2.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 98432232) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is JODVJQQTIDBHOX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(19-16-18-12-6-3-7-13(12)22-16)8-10-9-4-1-2-5-11(9)17-15(10)21/h1-2,4-5,10H,3,6-8H2,(H,17,21)(H,18,19,20)/t10-/m0/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 98432232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).