N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide

C20H12ClF2N5OS — CID 58236717

IUPACN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
SMILESNc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C20H12ClF2N5OS/c21-19-25-8-7-14(27-19)17-16(28-20(24)30-17)10-3-1-4-11(9-10)26-18(29)15-12(22)5-2-6-13(15)23/h1-9H,(H2,24,28)(H,26,29)
InChIKeyYEJVCPCRLATZGU-UHFFFAOYSA-N
MW443.87 g/mol
LogP5.03
Rot. Bonds4

About N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide

N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 58236717) has the molecular formula C20H12ClF2N5OS and a molecular weight of 443.87 g/mol. Its IUPAC name is N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
PubChem CID58236717
Molecular FormulaC20H12ClF2N5OS
Molecular Weight443.87 g/mol
Exact Mass443.04
IUPAC NameN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
SMILESNc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C20H12ClF2N5OS/c21-19-25-8-7-14(27-19)17-16(28-20(24)30-17)10-3-1-4-11(9-10)26-18(29)15-12(22)5-2-6-13(15)23/h1-9H,(H2,24,28)(H,26,29)
InChIKeyYEJVCPCRLATZGU-UHFFFAOYSA-N
XLogP5.03
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.87
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[3-[5-[2-(3-fluoroanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236770
N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513770
N-[3-[2-amino-5-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,5-difluorobenzamide
CID 58236772
N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
CID 169078522
2-[2-chloro-4-[[4-[4-[3-[(2,6-difluorobenzoyl)amino]phenyl]-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenoxy]ethyl-methylazanium
CID 143818269
2-[3-[5-(2-chloropyrimidin-4-yl)-2-ethyl-1,3-thiazol-4-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
CID 58236730
2-[3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
CID 58236859
2,6-difluoro-N-[3-[5-[2-(3-fluoro-4-piperidin-4-yloxyanilino)pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236838
5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58236707
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 34879780
N-[3-[5-[2-[3-chloro-4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 86652770
N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
CID 59513873

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide (CID 58236717) is N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide is Nc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1.
What is the InChIKey of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is YEJVCPCRLATZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N5OS/c21-19-25-8-7-14(27-19)17-16(28-20(24)30-17)10-3-1-4-11(9-10)26-18(29)15-12(22)5-2-6-13(15)23/h1-9H,(H2,24,28)(H,26,29).
What are the key properties of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide?
N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 443.87 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).