[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane

C24H31N3O2SSi — CID 172702399

IUPAC[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c([Si](C)(C)C)oc4ccccc34)sc2C=N1
InChIInChI=1S/C24H31N3O2SSi/c1-24(2)13-19-21(14-25-24)30-23(26-19)27-10-11-28-15-16(27)12-18-17-8-6-7-9-20(17)29-22(18)31(3,4)5/h6-9,14,16H,10-13,15H2,1-5H3/t16-/m0/s1
InChIKeyDDDNQUQZDOWVJP-INIZCTEOSA-N
MW453.68 g/mol
LogP4.64
Rot. Bonds4

About [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane

[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane (PubChem CID 172702399) has the molecular formula C24H31N3O2SSi and a molecular weight of 453.68 g/mol. Its IUPAC name is [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane
PubChem CID172702399
Molecular FormulaC24H31N3O2SSi
Molecular Weight453.68 g/mol
Exact Mass453.19
IUPAC Name[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c([Si](C)(C)C)oc4ccccc34)sc2C=N1
InChIInChI=1S/C24H31N3O2SSi/c1-24(2)13-19-21(14-25-24)30-23(26-19)27-10-11-28-15-16(27)12-18-17-8-6-7-9-20(17)29-22(18)31(3,4)5/h6-9,14,16H,10-13,15H2,1-5H3/t16-/m0/s1
InChIKeyDDDNQUQZDOWVJP-INIZCTEOSA-N
XLogP4.64
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.68
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane?
The IUPAC name of [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane (CID 172702399) is [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane.
What is the SMILES notation for [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane?
The canonical SMILES for [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane is CC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c([Si](C)(C)C)oc4ccccc34)sc2C=N1.
What is the InChIKey of [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane?
The InChIKey is DDDNQUQZDOWVJP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H31N3O2SSi/c1-24(2)13-19-21(14-25-24)30-23(26-19)27-10-11-28-15-16(27)12-18-17-8-6-7-9-20(17)29-22(18)31(3,4)5/h6-9,14,16H,10-13,15H2,1-5H3/t16-/m0/s1.
What are the key properties of [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane?
[3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane has a molecular weight of 453.68 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3S)-4-(6,6-dimethyl-7H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1-benzofuran-2-yl]-trimethylsilane is sourced from PubChem (CID 172702399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).