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

C10H7F2N3OS — CID 123515158

IUPAC5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C10H7F2N3OS/c11-4-2-1-3-5(12)6(4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyCMYIFJXJBAWZPP-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.77
Rot. Bonds2

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

5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 123515158) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID123515158
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C10H7F2N3OS/c11-4-2-1-3-5(12)6(4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyCMYIFJXJBAWZPP-UHFFFAOYSA-N
XLogP1.77
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
2-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
2-(2,4-Difluorophenyl)thiazole-4-carboxamide
CID 2737060
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733033
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-[3-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733036
Ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 66652898
2-Phenyl-1,3-thiazole-4,5-dicarboxamide
CID 345662
2-Phenyl-4-(trifluoromethyl)-5-aminothiazole
CID 15123012

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 123515158) is 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)sc1N.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CMYIFJXJBAWZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-4-2-1-3-5(12)6(4)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123515158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).