N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide

C16H21N3OS — CID 103776250

IUPACN-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCCc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-6-14(7-5-11)19-16(20)12(2)17-9-8-15-10-21-13(3)18-15/h4-7,10,12,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyDERWSYIYOZWDGV-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.92
Rot. Bonds6

About N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide

N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide (PubChem CID 103776250) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
PubChem CID103776250
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCCc2csc(C)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-6-14(7-5-11)19-16(20)12(2)17-9-8-15-10-21-13(3)18-15/h4-7,10,12,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyDERWSYIYOZWDGV-UHFFFAOYSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620243
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide (CID 103776250) is N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide is Cc1ccc(NC(=O)C(C)NCCc2csc(C)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The InChIKey is DERWSYIYOZWDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-4-6-14(7-5-11)19-16(20)12(2)17-9-8-15-10-21-13(3)18-15/h4-7,10,12,17H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide?
N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 103776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).