3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide

C14H17N3OS — CID 114480389

IUPAC3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)c1nccs1
InChIInChI=1S/C14H17N3OS/c1-9-7-11(13(15)18)3-4-12(9)8-17-10(2)14-16-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H2,15,18)
InChIKeyKLPHGUHHKQDYMR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.40
Rot. Bonds5

About 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide

3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide (PubChem CID 114480389) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
PubChem CID114480389
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)c1nccs1
InChIInChI=1S/C14H17N3OS/c1-9-7-11(13(15)18)3-4-12(9)8-17-10(2)14-16-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H2,15,18)
InChIKeyKLPHGUHHKQDYMR-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide (CID 114480389) is 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide is Cc1cc(C(N)=O)ccc1CNC(C)c1nccs1.
What is the InChIKey of 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide?
The InChIKey is KLPHGUHHKQDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-7-11(13(15)18)3-4-12(9)8-17-10(2)14-16-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H2,15,18).
What are the key properties of 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide?
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 114480389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).