5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C14H15F2N3OS — CID 91058126

IUPAC5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C14H15F2N3OS/c1-14(2,3)6-4-7(15)9(8(16)5-6)13-19-10(11(17)20)12(18)21-13/h4-5H,18H2,1-3H3,(H2,17,20)
InChIKeyQRYINSQVKQQPRJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.07
Rot. Bonds2

About 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 91058126) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID91058126
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C14H15F2N3OS/c1-14(2,3)6-4-7(15)9(8(16)5-6)13-19-10(11(17)20)12(18)21-13/h4-5H,18H2,1-3H3,(H2,17,20)
InChIKeyQRYINSQVKQQPRJ-UHFFFAOYSA-N
XLogP3.07
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
2-(3-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733035
5-methyl-2-[4-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733029
5-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 17930521
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
1-[5-Amino-2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 68230410
4-(4-Fluorophenyl)-5-propyl-1,3-thiazole-2-carboxamide
CID 68539505
4-(4-Fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 68590512
5-Amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 88894880
2-(2,6-Difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 89479176
5-Amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91174786

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 91058126) is 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is CC(C)(C)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1.
What is the InChIKey of 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QRYINSQVKQQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-14(2,3)6-4-7(15)9(8(16)5-6)13-19-10(11(17)20)12(18)21-13/h4-5H,18H2,1-3H3,(H2,17,20).
What are the key properties of 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91058126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).