6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one

C23H25N5OS2 — CID 158657365

IUPAC6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
SMILESCn1cncc1CCCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2
InChIInChI=1S/C23H25N5OS2/c1-28-14-26-11-15(28)4-2-3-5-16(29)10-20-22(17-6-8-25-13-21(17)30-20)23-27-18-12-24-9-7-19(18)31-23/h7,9,11-12,14,25H,2-6,8,10,13H2,1H3
InChIKeyBHGXTJFTEMRFMV-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.32
Rot. Bonds8

About 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one

6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one (PubChem CID 158657365) has the molecular formula C23H25N5OS2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one.

Molecular Properties

Compound Name6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
PubChem CID158657365
Molecular FormulaC23H25N5OS2
Molecular Weight451.62 g/mol
Exact Mass451.15
IUPAC Name6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
SMILESCn1cncc1CCCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2
InChIInChI=1S/C23H25N5OS2/c1-28-14-26-11-15(28)4-2-3-5-16(29)10-20-22(17-6-8-25-13-21(17)30-20)23-27-18-12-24-9-7-19(18)31-23/h7,9,11-12,14,25H,2-6,8,10,13H2,1H3
InChIKeyBHGXTJFTEMRFMV-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one with MolForge

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Related Compounds

molecular hydrogen;6-(1,2,4-oxadiazol-3-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
CID 159877409
6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
CID 158707818
1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-pyridin-3-ylheptan-2-one
CID 158497136
6-(1H-imidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen
CID 157200673
6-(1H-benzimidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen
CID 157153127
1-[3-(5-imidazol-1-yl-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one
CID 158540242
2-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 145201793
6-methyl-1-[3-(5-pyridin-3-yl-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
CID 158112021
3-(azetidin-3-ylamino)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;ethane
CID 145201797
(6S)-1-[3-[4-(difluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one
CID 147430958
3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen
CID 159648913
molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 158931200

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one?
The IUPAC name of 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one (CID 158657365) is 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one.
What is the SMILES notation for 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one?
The canonical SMILES for 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one is Cn1cncc1CCCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2.
What is the InChIKey of 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one?
The InChIKey is BHGXTJFTEMRFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS2/c1-28-14-26-11-15(28)4-2-3-5-16(29)10-20-22(17-6-8-25-13-21(17)30-20)23-27-18-12-24-9-7-19(18)31-23/h7,9,11-12,14,25H,2-6,8,10,13H2,1H3.
What are the key properties of 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one?
6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one has a molecular weight of 451.62 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one is sourced from PubChem (CID 158657365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).