5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide

C14H15F2N3OS — CID 63751916

IUPAC5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
SMILESCc1nc(C)c(C(C)Nc2cc(C(N)=O)c(F)cc2F)s1
InChIInChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-12-4-9(14(17)20)10(15)5-11(12)16/h4-5,7,19H,1-3H3,(H2,17,20)
InChIKeyLGDUQMXIKHENCZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.31
Rot. Bonds4

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

5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide (PubChem CID 63751916) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
PubChem CID63751916
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
SMILESCc1nc(C)c(C(C)Nc2cc(C(N)=O)c(F)cc2F)s1
InChIInChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-12-4-9(14(17)20)10(15)5-11(12)16/h4-5,7,19H,1-3H3,(H2,17,20)
InChIKeyLGDUQMXIKHENCZ-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide (CID 63751916) is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide is Cc1nc(C)c(C(C)Nc2cc(C(N)=O)c(F)cc2F)s1.
What is the InChIKey of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide?
The InChIKey is LGDUQMXIKHENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-6-13(21-8(3)18-6)7(2)19-12-4-9(14(17)20)10(15)5-11(12)16/h4-5,7,19H,1-3H3,(H2,17,20).
What are the key properties of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide?
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide has a molecular weight of 311.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 63751916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).