N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide

C21H20N2O2S — CID 4044271

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C21H20N2O2S/c1-4-14-23(20(24)17-8-6-5-7-9-17)21-22-19(15(2)26-21)16-10-12-18(25-3)13-11-16/h4-13H,1,14H2,2-3H3
InChIKeySRDJKZZNRWUWNN-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.96
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide (PubChem CID 4044271) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
PubChem CID4044271
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C21H20N2O2S/c1-4-14-23(20(24)17-8-6-5-7-9-17)21-22-19(15(2)26-21)16-10-12-18(25-3)13-11-16/h4-13H,1,14H2,2-3H3
InChIKeySRDJKZZNRWUWNN-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-methoxyphenyl)benzoyl]-prop-2-enylamino]benzoic acid
CID 5170533
N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]acetic acid
CID 23990867
4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
2-[2-[benzyl-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 2420287
[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 135139835
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
6-methoxy-N-phenyl-N-prop-2-enylthieno[2,3-b]quinoline-2-carboxamide
CID 6621724

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide (CID 4044271) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
The InChIKey is SRDJKZZNRWUWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-4-14-23(20(24)17-8-6-5-7-9-17)21-22-19(15(2)26-21)16-10-12-18(25-3)13-11-16/h4-13H,1,14H2,2-3H3.
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 4044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).