3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide

C16H21N3OS — CID 63283692

IUPAC3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2scnc2C)cc1C
InChIInChI=1S/C16H21N3OS/c1-4-7-17-14-6-5-13(8-11(14)2)16(20)18-9-15-12(3)19-10-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyYJLXSVXZXWYQRY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.51
Rot. Bonds6

About 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide

3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide (PubChem CID 63283692) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
PubChem CID63283692
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2scnc2C)cc1C
InChIInChI=1S/C16H21N3OS/c1-4-7-17-14-6-5-13(8-11(14)2)16(20)18-9-15-12(3)19-10-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyYJLXSVXZXWYQRY-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide (CID 63283692) is 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCc2scnc2C)cc1C.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide?
The InChIKey is YJLXSVXZXWYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-7-17-14-6-5-13(8-11(14)2)16(20)18-9-15-12(3)19-10-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide?
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 63283692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).