4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

C20H18N2OS — CID 2675971

IUPAC4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18N2OS/c1-3-13-22(19(23)17-11-9-15(2)10-12-17)20-21-18(14-24-20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyFUASEVYTQSTORG-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.95
Rot. Bonds5

About 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 2675971) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID2675971
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18N2OS/c1-3-13-22(19(23)17-11-9-15(2)10-12-17)20-21-18(14-24-20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyFUASEVYTQSTORG-UHFFFAOYSA-N
XLogP4.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 43069032
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 8840087
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26212452
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 2675971) is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is FUASEVYTQSTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-3-13-22(19(23)17-11-9-15(2)10-12-17)20-21-18(14-24-20)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3.
What are the key properties of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 334.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 2675971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).