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

C13H14FN3O2S — CID 91174786

IUPAC5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)Cc1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-6(18)4-7-2-3-8(9(14)5-7)13-17-10(11(15)19)12(16)20-13/h2-3,5-6,18H,4,16H2,1H3,(H2,15,19)
InChIKeyDTTRHBRRZZBXGD-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds4

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

5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 91174786) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID91174786
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)Cc1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-6(18)4-7-2-3-8(9(14)5-7)13-17-10(11(15)19)12(16)20-13/h2-3,5-6,18H,4,16H2,1H3,(H2,15,19)
InChIKeyDTTRHBRRZZBXGD-UHFFFAOYSA-N
XLogP1.55
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
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
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
5-Amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 91058126
5-Amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91265751
5-Amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 122522212
5-Amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123515158
5-Amino-2-(2-fluoro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 123676397
5-Amino-2-(2-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 145143097
5-Amino-2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 145551736
5-Amino-2-phenyl-1,3-thiazole-4-carboxamide
CID 44122509
5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 143930488

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (CID 91174786) is 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is CC(O)Cc1ccc(-c2nc(C(N)=O)c(N)s2)c(F)c1.
What is the InChIKey of 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTTRHBRRZZBXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-6(18)4-7-2-3-8(9(14)5-7)13-17-10(11(15)19)12(16)20-13/h2-3,5-6,18H,4,16H2,1H3,(H2,15,19).
What are the key properties of 5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.55, 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-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91174786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).