4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 43601937

IUPAC4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNCc1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16-11-5-3-4-10(6-11)7-14-2/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyHQIZVMWJFSQTSB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 43601937) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID43601937
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNCc1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16-11-5-3-4-10(6-11)7-14-2/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyHQIZVMWJFSQTSB-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
N-[3-(1H-imidazol-5-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 131951100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 43601937) is 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide is CNCc1cccc(NC(=O)c2scnc2C)c1.
What is the InChIKey of 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HQIZVMWJFSQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)13(17)16-11-5-3-4-10(6-11)7-14-2/h3-6,8,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43601937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).