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

C13H13F2N3O2S — CID 91265751

IUPAC5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H13F2N3O2S/c1-2-8(19)5-3-6(14)9(7(15)4-5)13-18-10(11(16)20)12(17)21-13/h3-4,8,19H,2,17H2,1H3,(H2,16,20)
InChIKeyCXTZZFKWGUEMDV-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.21
Rot. Bonds4

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

5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 91265751) 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-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID91265751
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H13F2N3O2S/c1-2-8(19)5-3-6(14)9(7(15)4-5)13-18-10(11(16)20)12(17)21-13/h3-4,8,19H,2,17H2,1H3,(H2,16,20)
InChIKeyCXTZZFKWGUEMDV-UHFFFAOYSA-N
XLogP2.21
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335257
5-Amino-2-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335271
2-[2,6-Difluoro-4-(4-hydroxyoxan-4-yl)phenyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 70656031
5-[[(1E,3E)-1-amino-4-(2-hydroxypropan-2-yl)-5-methylhexa-1,3,5-trienyl]amino]-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 89407868
2-[2,6-Difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
CID 90043963
5-Amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 91058126
5-Amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91174786
2-[5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 91404954
5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 143930488
5-Amino-2-[4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335264
5-Amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91075122
5-Amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 91158583

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (CID 91265751) is 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is CCC(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-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CXTZZFKWGUEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-2-8(19)5-3-6(14)9(7(15)4-5)13-18-10(11(16)20)12(17)21-13/h3-4,8,19H,2,17H2,1H3,(H2,16,20).
What are the key properties of 5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.21, 4 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-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91265751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).