4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide

C16H18N2OS — CID 42884410

IUPAC4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
SMILESCC1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2OS/c1-11-14-7-9-20-15(14)6-8-18(11)10-12-2-4-13(5-3-12)16(17)19/h2-5,7,9,11H,6,8,10H2,1H3,(H2,17,19)
InChIKeyMKZDYEBYAOSKTK-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.97
Rot. Bonds3

About 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide (PubChem CID 42884410) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
PubChem CID42884410
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
SMILESCC1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2OS/c1-11-14-7-9-20-15(14)6-8-18(11)10-12-2-4-13(5-3-12)16(17)19/h2-5,7,9,11H,6,8,10H2,1H3,(H2,17,19)
InChIKeyMKZDYEBYAOSKTK-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
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
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
CID 51500695
3-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarbothioamide
CID 114481875
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500181
5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
5-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103998198
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
CID 80727247
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The IUPAC name of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide (CID 42884410) is 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide is CC1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The InChIKey is MKZDYEBYAOSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-14-7-9-20-15(14)6-8-18(11)10-12-2-4-13(5-3-12)16(17)19/h2-5,7,9,11H,6,8,10H2,1H3,(H2,17,19).
What are the key properties of 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide?
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide has a molecular weight of 286.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide is sourced from PubChem (CID 42884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).