N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide

C18H19N3O2S — CID 55711496

IUPACN-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nc(/C=C/C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-3-6-14(20-18(23)13-4-5-13)9-16(11)21-17(22)8-7-15-10-24-12(2)19-15/h3,6-10,13H,4-5H2,1-2H3,(H,20,23)(H,21,22)/b8-7+
InChIKeySLZOWDRFRBUUTK-BQYQJAHWSA-N
MW341.44 g/mol
LogP3.76
Rot. Bonds5

About N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 55711496) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID55711496
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nc(/C=C/C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-3-6-14(20-18(23)13-4-5-13)9-16(11)21-17(22)8-7-15-10-24-12(2)19-15/h3,6-10,13H,4-5H2,1-2H3,(H,20,23)(H,21,22)/b8-7+
InChIKeySLZOWDRFRBUUTK-BQYQJAHWSA-N
XLogP3.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170101
2-fluoro-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 103791446
N-[3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 55711543
5-chloro-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43358258
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 24669358
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 25470231
(E)-N-(5-tert-butyl-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16592074
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 51885246

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (CID 55711496) is N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is Cc1nc(/C=C/C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cs1.
What is the InChIKey of N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is SLZOWDRFRBUUTK-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-3-6-14(20-18(23)13-4-5-13)9-16(11)21-17(22)8-7-15-10-24-12(2)19-15/h3,6-10,13H,4-5H2,1-2H3,(H,20,23)(H,21,22)/b8-7+.
What are the key properties of N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55711496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).