N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C16H16F2N4OS2 — CID 166227736

IUPACN-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)NCC(N)c3ccc(F)cc3F)cc2s1
InChIInChI=1S/C16H16F2N4OS2/c1-22(2)16-21-15-13(25-16)6-12(24-15)14(23)20-7-11(19)9-4-3-8(17)5-10(9)18/h3-6,11H,7,19H2,1-2H3,(H,20,23)
InChIKeyMYPHSFRNEVGRCS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.13
Rot. Bonds5

About N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 166227736) has the molecular formula C16H16F2N4OS2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID166227736
Molecular FormulaC16H16F2N4OS2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)NCC(N)c3ccc(F)cc3F)cc2s1
InChIInChI=1S/C16H16F2N4OS2/c1-22(2)16-21-15-13(25-16)6-12(24-15)14(23)20-7-11(19)9-4-3-8(17)5-10(9)18/h3-6,11H,7,19H2,1-2H3,(H,20,23)
InChIKeyMYPHSFRNEVGRCS-UHFFFAOYSA-N
XLogP3.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 166227736) is N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)c1nc2sc(C(=O)NCC(N)c3ccc(F)cc3F)cc2s1.
What is the InChIKey of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is MYPHSFRNEVGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS2/c1-22(2)16-21-15-13(25-16)6-12(24-15)14(23)20-7-11(19)9-4-3-8(17)5-10(9)18/h3-6,11H,7,19H2,1-2H3,(H,20,23).
What are the key properties of N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(2,4-difluorophenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 166227736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).