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

C22H22N4O2S — CID 46545817

IUPAC2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-3-12-23-22(28)26-19-10-8-18(9-11-19)25-21(27)13-16-4-6-17(7-5-16)20-14-29-15(2)24-20/h3-11,14H,1,12-13H2,2H3,(H,25,27)(H2,23,26,28)
InChIKeyJGTQYULFMCBVJZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.61
Rot. Bonds7

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

2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide (PubChem CID 46545817) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
PubChem CID46545817
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-3-12-23-22(28)26-19-10-8-18(9-11-19)25-21(27)13-16-4-6-17(7-5-16)20-14-29-15(2)24-20/h3-11,14H,1,12-13H2,2H3,(H,25,27)(H2,23,26,28)
InChIKeyJGTQYULFMCBVJZ-UHFFFAOYSA-N
XLogP4.61
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
tert-butyl N-[(E)-4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]but-2-enyl]carbamate
CID 99801662
2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
CID 55674815
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide (CID 46545817) is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide is C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The InChIKey is JGTQYULFMCBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-12-23-22(28)26-19-10-8-18(9-11-19)25-21(27)13-16-4-6-17(7-5-16)20-14-29-15(2)24-20/h3-11,14H,1,12-13H2,2H3,(H,25,27)(H2,23,26,28).
What are the key properties of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 46545817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).