3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C14H17N3OS — CID 112702022

IUPAC3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(C)c(N)c2)s1
InChIInChI=1S/C14H17N3OS/c1-8-4-5-11(6-12(8)15)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,15H2,1-3H3,(H,17,18)
InChIKeyYZILETHKRZNUKT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 112702022) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID112702022
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(C)c(N)c2)s1
InChIInChI=1S/C14H17N3OS/c1-8-4-5-11(6-12(8)15)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,15H2,1-3H3,(H,17,18)
InChIKeyYZILETHKRZNUKT-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115741114
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 112702022) is 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(C)c(N)c2)s1.
What is the InChIKey of 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is YZILETHKRZNUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-4-5-11(6-12(8)15)13(18)17-10(3)14-16-7-9(2)19-14/h4-7,10H,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 112702022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).