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

C14H15F2N3OS — CID 61192271

IUPAC5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-14(20)9-4-12(17)11(16)5-10(9)15/h4-5,7H,17H2,1-3H3,(H,19,20)
InChIKeyVGSJUGLTJOABAY-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.11
Rot. Bonds3

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

5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide (PubChem CID 61192271) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
PubChem CID61192271
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-14(20)9-4-12(17)11(16)5-10(9)15/h4-5,7H,17H2,1-3H3,(H,19,20)
InChIKeyVGSJUGLTJOABAY-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.11
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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
CID 63751916
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192619
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide (CID 61192271) is 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide is Cc1nc(C)c(C(C)NC(=O)c2cc(N)c(F)cc2F)s1.
What is the InChIKey of 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide?
The InChIKey is VGSJUGLTJOABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-14(20)9-4-12(17)11(16)5-10(9)15/h4-5,7H,17H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide?
5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide has a molecular weight of 311.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 61192271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).