4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

C12H12F2N4OS — CID 116668150

IUPAC4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C12H12F2N4OS/c1-2-16-12-18-10(15)9(20-12)11(19)17-8-5-6(13)3-4-7(8)14/h3-5H,2,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKUPWSNNKUGUDM-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.69
Rot. Bonds4

About 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668150) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668150
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C12H12F2N4OS/c1-2-16-12-18-10(15)9(20-12)11(19)17-8-5-6(13)3-4-7(8)14/h3-5H,2,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKUPWSNNKUGUDM-UHFFFAOYSA-N
XLogP2.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(ethylamino)-N-(2,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665570
4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668151
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-2-(ethylamino)-N-(3-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 116668766
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116664072
3-chloro-N-(2,5-difluorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62172239
N-(2,5-difluorophenyl)-4-(ethylamino)benzamide
CID 62172591
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-amino-2-(ethylamino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 171133622
4-amino-2-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116663783

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 116668150) is 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1.
What is the InChIKey of 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is YKUPWSNNKUGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c1-2-16-12-18-10(15)9(20-12)11(19)17-8-5-6(13)3-4-7(8)14/h3-5H,2,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).