N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide

C18H23F2N3O3S — CID 89094953

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C18H23F2N3O3S/c1-17(2)16(21)23-18(3,9-27(17,25)26)12-7-11(8-13(19)15(12)20)22-14(24)6-10-4-5-10/h7-8,10H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t18-/m0/s1
InChIKeyQVYWFJDBOFQKMZ-SFHVURJKSA-N
MW399.46 g/mol
LogP2.48
Rot. Bonds4

About N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide (PubChem CID 89094953) has the molecular formula C18H23F2N3O3S and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide
PubChem CID89094953
Molecular FormulaC18H23F2N3O3S
Molecular Weight399.46 g/mol
Exact Mass399.14
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C18H23F2N3O3S/c1-17(2)16(21)23-18(3,9-27(17,25)26)12-7-11(8-13(19)15(12)20)22-14(24)6-10-4-5-10/h7-8,10H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t18-/m0/s1
InChIKeyQVYWFJDBOFQKMZ-SFHVURJKSA-N
XLogP2.48
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66562861
CID 66562861
CID 66562862
CID 66562862
CID 66562863
CID 66562863
CID 66562866
CID 66562866
CID 66562957
CID 66562957
CID 66562958
CID 66562958
CID 66562959
CID 66562959
CID 66563057
CID 66563057
CID 85472573
CID 85472573
CID 89094861
CID 89094861
CID 89094874
CID 89094874
CID 89094879
CID 89094879

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide?
The IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide (CID 89094953) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)cc(F)c2F)CS1(=O)=O.
What is the InChIKey of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide?
The InChIKey is QVYWFJDBOFQKMZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23F2N3O3S/c1-17(2)16(21)23-18(3,9-27(17,25)26)12-7-11(8-13(19)15(12)20)22-14(24)6-10-4-5-10/h7-8,10H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide has a molecular weight of 399.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 89094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).