5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C13H16ClN3S — CID 51261732

IUPAC5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1ncc(Cl)n1C
InChIInChI=1S/C13H16ClN3S/c1-9-10-4-6-18-11(10)3-5-17(9)8-13-15-7-12(14)16(13)2/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyGTTRJAJZZXGPFQ-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.25
Rot. Bonds2

About 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 51261732) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID51261732
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1ncc(Cl)n1C
InChIInChI=1S/C13H16ClN3S/c1-9-10-4-6-18-11(10)3-5-17(9)8-13-15-7-12(14)16(13)2/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyGTTRJAJZZXGPFQ-UHFFFAOYSA-N
XLogP3.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-chloro-6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 62892888
6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 79243185
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
[6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-2-pyridinyl]methanamine
CID 106906070
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
CID 55010993
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 18088978
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979
2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 56812122

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 51261732) is 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1Cc1ncc(Cl)n1C.
What is the InChIKey of 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is GTTRJAJZZXGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9-10-4-6-18-11(10)3-5-17(9)8-13-15-7-12(14)16(13)2/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 281.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 51261732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).