N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

C22H19N3OS — CID 9173852

IUPACN-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3OS/c1-13-20(18-12-23-19-8-3-2-7-17(18)19)25-22(27-13)15-5-4-6-16(11-15)24-21(26)14-9-10-14/h2-8,11-12,14,23H,9-10H2,1H3,(H,24,26)
InChIKeySPFUOYWUPGJJNW-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.62
Rot. Bonds4

About N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 9173852) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID9173852
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3OS/c1-13-20(18-12-23-19-8-3-2-7-17(18)19)25-22(27-13)15-5-4-6-16(11-15)24-21(26)14-9-10-14/h2-8,11-12,14,23H,9-10H2,1H3,(H,24,26)
InChIKeySPFUOYWUPGJJNW-UHFFFAOYSA-N
XLogP5.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962888
(3S)-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide
CID 118417809
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
4-amino-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]cyclohexane-1-carboxamide;tert-butyl N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 157230523
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 9173852) is N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is SPFUOYWUPGJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-13-20(18-12-23-19-8-3-2-7-17(18)19)25-22(27-13)15-5-4-6-16(11-15)24-21(26)14-9-10-14/h2-8,11-12,14,23H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9173852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).