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

C14H17N3OS — CID 43601238

IUPACN-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C14H17N3OS/c1-3-15-8-11-5-4-6-12(7-11)17-14(18)13-10(2)16-9-19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyBCYFHJJZMBIKEF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.81
Rot. Bonds5

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

N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 43601238) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID43601238
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2scnc2C)c1
InChIInChI=1S/C14H17N3OS/c1-3-15-8-11-5-4-6-12(7-11)17-14(18)13-10(2)16-9-19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyBCYFHJJZMBIKEF-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
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-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
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 N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 43601238) is N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCNCc1cccc(NC(=O)c2scnc2C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BCYFHJJZMBIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-15-8-11-5-4-6-12(7-11)17-14(18)13-10(2)16-9-19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43601238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).