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

C21H22N2OS2 — CID 55685749

IUPAC(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C21H22N2OS2/c1-13(2)20-22-14(3)19(26-20)21(24)23-11-9-17-16(10-12-25-17)18(23)15-7-5-4-6-8-15/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyDBMXHZVNMIBQIL-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.42
Rot. Bonds3

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

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 55685749) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID55685749
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C21H22N2OS2/c1-13(2)20-22-14(3)19(26-20)21(24)23-11-9-17-16(10-12-25-17)18(23)15-7-5-4-6-8-15/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyDBMXHZVNMIBQIL-UHFFFAOYSA-N
XLogP5.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
CID 46565494
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 27446583
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 33171337
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone
CID 7416702
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 55685749) is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is Cc1nc(C(C)C)sc1C(=O)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is DBMXHZVNMIBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-13(2)20-22-14(3)19(26-20)21(24)23-11-9-17-16(10-12-25-17)18(23)15-7-5-4-6-8-15/h4-8,10,12-13,18H,9,11H2,1-3H3.
What are the key properties of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 382.55 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 55685749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).