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

C13H14F2N4OS — CID 116668151

IUPAC4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C13H14F2N4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-5-7(14)3-4-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNXDQWYDHTIFZBY-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.08
Rot. Bonds4

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

4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668151) has the molecular formula C13H14F2N4OS and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668151
Molecular FormulaC13H14F2N4OS
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C13H14F2N4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-5-7(14)3-4-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNXDQWYDHTIFZBY-UHFFFAOYSA-N
XLogP3.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,5-difluorophenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116668150
4-amino-N-(2,6-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669233
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672031
4-amino-N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670547
4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669374
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-2-(ethylamino)-N-(2,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665570
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116668151) is 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)Nc2cc(F)ccc2F)s1.
What is the InChIKey of 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is NXDQWYDHTIFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-5-7(14)3-4-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.08, 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-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).