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

C18H24FN3O3S — CID 89094879

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-cyclopropylacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H24FN3O3S/c1-17(2)16(20)22-18(3,10-26(17,24)25)13-9-12(6-7-14(13)19)21-15(23)8-11-4-5-11/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t18-/m0/s1
InChIKeyQQPUUBKKAPJRCL-SFHVURJKSA-N
MW381.47 g/mol
LogP2.34
Rot. Bonds4

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

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-cyclopropylacetamide (PubChem CID 89094879) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 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-fluorophenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-cyclopropylacetamide
PubChem CID89094879
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-cyclopropylacetamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H24FN3O3S/c1-17(2)16(20)22-18(3,10-26(17,24)25)13-9-12(6-7-14(13)19)21-15(23)8-11-4-5-11/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t18-/m0/s1
InChIKeyQQPUUBKKAPJRCL-SFHVURJKSA-N
XLogP2.34
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-fluorophenyl]-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-fluorophenyl]-2-cyclopropylacetamide (CID 89094879) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-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-fluorophenyl]-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-fluorophenyl]-2-cyclopropylacetamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)CC3CC3)ccc2F)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-fluorophenyl]-2-cyclopropylacetamide?
The InChIKey is QQPUUBKKAPJRCL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-17(2)16(20)22-18(3,10-26(17,24)25)13-9-12(6-7-14(13)19)21-15(23)8-11-4-5-11/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/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-fluorophenyl]-2-cyclopropylacetamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-cyclopropylacetamide has a molecular weight of 381.47 g/mol, XLogP of 2.34, 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-fluorophenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 89094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).