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

C17H15ClN2S2 — CID 156810232

IUPAC2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2-c2cnsc2)C1
InChIInChI=1S/C17H15ClN2S2/c1-20-8-15(14-6-17(18)22-16(14)9-20)13-5-3-2-4-12(13)11-7-19-21-10-11/h2-7,10,15H,8-9H2,1H3
InChIKeyJKIDESOVQCINHP-UHFFFAOYSA-N
MW346.91 g/mol
LogP5.10
Rot. Bonds2

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

2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 156810232) has the molecular formula C17H15ClN2S2 and a molecular weight of 346.91 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID156810232
Molecular FormulaC17H15ClN2S2
Molecular Weight346.91 g/mol
Exact Mass346.04
IUPAC Name2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2-c2cnsc2)C1
InChIInChI=1S/C17H15ClN2S2/c1-20-8-15(14-6-17(18)22-16(14)9-20)13-5-3-2-4-12(13)11-7-19-21-10-11/h2-7,10,15H,8-9H2,1H3
InChIKeyJKIDESOVQCINHP-UHFFFAOYSA-N
XLogP5.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.91
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

buta-1,3-diene;2-chloro-6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 156810204
2-chloro-4-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 156810574
1-[(4R)-2-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-imine
CID 170150079
1-[(4S)-2-chloro-4-[2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 166675765
1-[2-chloro-4-[2-(1-methylpyrazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 169069523
bis(buta-1,3-diene);2-chloro-4-[2-(2-chloro-3-pyridinyl)phenyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-chloro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-chloro-3-phenylpyridine
CID 156810119
buta-1,3-diene;2-chloro-4-[2-(2-chloro-3-pyridinyl)thiophen-3-yl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 156810308
N-(aminomethylidene)-2-(2-chloro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)-N'-methylbenzenecarboximidamide;buta-1,3-diene
CID 156810286
1-[(4S)-2-chloro-4-(2-phenylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155140667
1-[(4R)-2-chloro-4-[2-(6-fluoro-3-pyridinyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 156810220
1-[(4R)-2-chloro-4-[2-(5-chloro-3-pyridinyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 156810475
2-chloro-4-(3,4-dimethoxyphenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 21162131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 156810232) is 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is CN1Cc2sc(Cl)cc2C(c2ccccc2-c2cnsc2)C1.
What is the InChIKey of 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is JKIDESOVQCINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S2/c1-20-8-15(14-6-17(18)22-16(14)9-20)13-5-3-2-4-12(13)11-7-19-21-10-11/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 346.91 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-[2-(1,2-thiazol-4-yl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 156810232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).