N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

C21H17N3O2S — CID 9173848

IUPACN-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C1Cc2cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)ccc2N1
InChIInChI=1S/C21H17N3O2S/c25-19-10-15-8-13(6-7-17(15)23-19)18-11-27-21(24-18)14-2-1-3-16(9-14)22-20(26)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,22,26)(H,23,25)
InChIKeyFOQGZCXZQKBKNV-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.32
Rot. Bonds4

About N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 9173848) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID9173848
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C1Cc2cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)ccc2N1
InChIInChI=1S/C21H17N3O2S/c25-19-10-15-8-13(6-7-17(15)23-19)18-11-27-21(24-18)14-2-1-3-16(9-14)22-20(26)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,22,26)(H,23,25)
InChIKeyFOQGZCXZQKBKNV-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108809085
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
N-[3-[4-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173864
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 9173848) is N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is O=C1Cc2cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)ccc2N1.
What is the InChIKey of N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is FOQGZCXZQKBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-19-10-15-8-13(6-7-17(15)23-19)18-11-27-21(24-18)14-2-1-3-16(9-14)22-20(26)12-4-5-12/h1-3,6-9,11-12H,4-5,10H2,(H,22,26)(H,23,25).
What are the key properties of N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9173848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).