N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

C19H19F2N3OS — CID 90606120

IUPACN-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)NCc3ccc(F)cc3F)nc12
InChIInChI=1S/C19H19F2N3OS/c1-11-4-5-12(2)18-17(11)23-19(26-18)24(3)10-16(25)22-9-13-6-7-14(20)8-15(13)21/h4-8H,9-10H2,1-3H3,(H,22,25)
InChIKeyBTLQMDLRHFTJSB-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.94
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 90606120) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID90606120
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)NCc3ccc(F)cc3F)nc12
InChIInChI=1S/C19H19F2N3OS/c1-11-4-5-12(2)18-17(11)23-19(26-18)24(3)10-16(25)22-9-13-6-7-14(20)8-15(13)21/h4-8H,9-10H2,1-3H3,(H,22,25)
InChIKeyBTLQMDLRHFTJSB-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 90606120) is N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is Cc1ccc(C)c2sc(N(C)CC(=O)NCc3ccc(F)cc3F)nc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is BTLQMDLRHFTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-11-4-5-12(2)18-17(11)23-19(26-18)24(3)10-16(25)22-9-13-6-7-14(20)8-15(13)21/h4-8H,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 375.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 90606120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).