2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide

C18H15F2N3OS2 — CID 99618872

IUPAC2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C18H15F2N3OS2/c19-11-4-3-5-12(20)18(11)14-9-26-17(23-14)8-22-13-6-1-2-7-15(13)25-10-16(21)24/h1-7,9,22H,8,10H2,(H2,21,24)
InChIKeyXWZADQFBEGPJIS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.28
Rot. Bonds7

About 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide

2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide (PubChem CID 99618872) has the molecular formula C18H15F2N3OS2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide
PubChem CID99618872
Molecular FormulaC18H15F2N3OS2
Molecular Weight391.47 g/mol
Exact Mass391.06
IUPAC Name2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C18H15F2N3OS2/c19-11-4-3-5-12(20)18(11)14-9-26-17(23-14)8-22-13-6-1-2-7-15(13)25-10-16(21)24/h1-7,9,22H,8,10H2,(H2,21,24)
InChIKeyXWZADQFBEGPJIS-UHFFFAOYSA-N
XLogP4.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 51248663
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 62747638
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
CID 71859126
2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide (CID 99618872) is 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1.
What is the InChIKey of 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The InChIKey is XWZADQFBEGPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS2/c19-11-4-3-5-12(20)18(11)14-9-26-17(23-14)8-22-13-6-1-2-7-15(13)25-10-16(21)24/h1-7,9,22H,8,10H2,(H2,21,24).
What are the key properties of 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide?
2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide has a molecular weight of 391.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 99618872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).