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6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

C22H24FN5O2S2 — CID 151712743

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)c(N)c2s1
InChIInChI=1S/C22H24FN5O2S2/c1-10-25-22-20(31-10)18(24)19(32-22)21(29)27-14-4-11-5-15(23)16(6-17(11)30-9-14)28-7-12-2-3-13(8-28)26-12/h5-6,12-14,26H,2-4,7-9,24H2,1H3,(H,27,29)/t12?,13?,14-/m0/s1
InChIKeyRGWZXUCHMGMLFB-RUXDESIVSA-N
MW473.60 g/mol
LogP3.06
Rot. Bonds3

About 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide

6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 151712743) has the molecular formula C22H24FN5O2S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID151712743
Molecular FormulaC22H24FN5O2S2
Molecular Weight473.60 g/mol
Exact Mass473.14
IUPAC Name6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)c(N)c2s1
InChIInChI=1S/C22H24FN5O2S2/c1-10-25-22-20(31-10)18(24)19(32-22)21(29)27-14-4-11-5-15(23)16(6-17(11)30-9-14)28-7-12-2-3-13(8-28)26-12/h5-6,12-14,26H,2-4,7-9,24H2,1H3,(H,27,29)/t12?,13?,14-/m0/s1
InChIKeyRGWZXUCHMGMLFB-RUXDESIVSA-N
XLogP3.06
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 151712743) is 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2sc(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)c(N)c2s1.
What is the InChIKey of 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is RGWZXUCHMGMLFB-RUXDESIVSA-N. The full InChI is InChI=1S/C22H24FN5O2S2/c1-10-25-22-20(31-10)18(24)19(32-22)21(29)27-14-4-11-5-15(23)16(6-17(11)30-9-14)28-7-12-2-3-13(8-28)26-12/h5-6,12-14,26H,2-4,7-9,24H2,1H3,(H,27,29)/t12?,13?,14-/m0/s1.
What are the key properties of 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide?
6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 151712743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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