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

C14H17N3OS — CID 119947163

IUPAC2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccccc2N)s1
InChIInChI=1S/C14H17N3OS/c1-9-13(19-10(2)17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyFBJQLENBIBSZNB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.31
Rot. Bonds4

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

2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 119947163) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID119947163
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccccc2N)s1
InChIInChI=1S/C14H17N3OS/c1-9-13(19-10(2)17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyFBJQLENBIBSZNB-UHFFFAOYSA-N
XLogP2.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.31
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

2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119125763
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 119947163) is 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(CCNC(=O)c2ccccc2N)s1.
What is the InChIKey of 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is FBJQLENBIBSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-13(19-10(2)17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 119947163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).