5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H13F2N3O2S — CID 58335271

IUPAC5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H13F2N3O2S/c1-13(2,20)5-3-6(14)8(7(15)4-5)12-18-9(10(16)19)11(17)21-12/h3-4,20H,17H2,1-2H3,(H2,16,19)
InChIKeyAIMBUVQKJWGJBW-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.00
Rot. Bonds3

About 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 58335271) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID58335271
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H13F2N3O2S/c1-13(2,20)5-3-6(14)8(7(15)4-5)12-18-9(10(16)19)11(17)21-12/h3-4,20H,17H2,1-2H3,(H2,16,19)
InChIKeyAIMBUVQKJWGJBW-UHFFFAOYSA-N
XLogP2.00
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide;methylcarbamic acid
CID 157190050
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757
2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol
CID 151275197
5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine
CID 143930487
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526073
5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane
CID 143930435
5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 170414131
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(8-oxo-7H-1,7-naphthyridin-2-yl)amino]thiophene-3-carboxamide
CID 44555293
2-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]benzoic acid
CID 67083788
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(triazol-2-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525928
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 58335271) is 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1.
What is the InChIKey of 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AIMBUVQKJWGJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-13(2,20)5-3-6(14)8(7(15)4-5)12-18-9(10(16)19)11(17)21-12/h3-4,20H,17H2,1-2H3,(H2,16,19).
What are the key properties of 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58335271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).