4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide

C20H19N3OS — CID 3526553

IUPAC4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)cs1
InChIInChI=1S/C20H19N3OS/c1-3-11-21-20-23-18(13-25-20)16-5-4-6-17(12-16)22-19(24)15-9-7-14(2)8-10-15/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24)
InChIKeyPWPBOARDWHHYJS-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.97
Rot. Bonds6

About 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide

4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3526553) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3526553
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)cs1
InChIInChI=1S/C20H19N3OS/c1-3-11-21-20-23-18(13-25-20)16-5-4-6-17(12-16)22-19(24)15-9-7-14(2)8-10-15/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24)
InChIKeyPWPBOARDWHHYJS-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 5100026
4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4224045
(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 5154094
4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18900524
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42764774
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
N-[3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]phenyl]-4-methylsulfonylbenzamide
CID 142392068
N-[3-[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18900520
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3526553) is 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide is C=CCNc1nc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)cs1.
What is the InChIKey of 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is PWPBOARDWHHYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-3-11-21-20-23-18(13-25-20)16-5-4-6-17(12-16)22-19(24)15-9-7-14(2)8-10-15/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3526553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).