4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide

C16H11F3N4OS2 — CID 118561650

IUPAC4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4OS2/c17-16(18,19)26-11-5-3-10(4-6-11)22-14(24)12-13(20)23-15(25-12)9-2-1-7-21-8-9/h1-8H,20H2,(H,22,24)
InChIKeyDMIXZYSQSIUWJJ-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.65
Rot. Bonds4

About 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide

4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 118561650) has the molecular formula C16H11F3N4OS2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID118561650
Molecular FormulaC16H11F3N4OS2
Molecular Weight396.42 g/mol
Exact Mass396.03
IUPAC Name4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4OS2/c17-16(18,19)26-11-5-3-10(4-6-11)22-14(24)12-13(20)23-15(25-12)9-2-1-7-21-8-9/h1-8H,20H2,(H,22,24)
InChIKeyDMIXZYSQSIUWJJ-UHFFFAOYSA-N
XLogP4.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 66484493
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100769084
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114641
4-amino-2-piperidin-1-yl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116667887
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 11648694
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 46971817

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide (CID 118561650) is 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide is Nc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DMIXZYSQSIUWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS2/c17-16(18,19)26-11-5-3-10(4-6-11)22-14(24)12-13(20)23-15(25-12)9-2-1-7-21-8-9/h1-8H,20H2,(H,22,24).
What are the key properties of 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide?
4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).