4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole

C21H18N4OS2 — CID 123713625

IUPAC4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C2=NC(C)(C)CO2)cc2sccc12
InChIInChI=1S/C21H18N4OS2/c1-12-18(28-20(23-12)13-5-4-7-22-10-13)17-14-6-8-27-16(14)9-15(24-17)19-25-21(2,3)11-26-19/h4-10H,11H2,1-3H3
InChIKeyPVZGHFGJRJCDAE-UHFFFAOYSA-N
MW406.54 g/mol
LogP5.35
Rot. Bonds3

About 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole

4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole (PubChem CID 123713625) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole
PubChem CID123713625
Molecular FormulaC21H18N4OS2
Molecular Weight406.54 g/mol
Exact Mass406.09
IUPAC Name4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C2=NC(C)(C)CO2)cc2sccc12
InChIInChI=1S/C21H18N4OS2/c1-12-18(28-20(23-12)13-5-4-7-22-10-13)17-14-6-8-27-16(14)9-15(24-17)19-25-21(2,3)11-26-19/h4-10H,11H2,1-3H3
InChIKeyPVZGHFGJRJCDAE-UHFFFAOYSA-N
XLogP5.35
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
CID 123513218
6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123777526
4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
CID 118081634
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-2,3-dihydropyrano[3,2-b]pyridin-4-imine
CID 123165845
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
CID 123620363
N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
CID 123154926
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole (CID 123713625) is 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole is Cc1nc(-c2cccnc2)sc1-c1nc(C2=NC(C)(C)CO2)cc2sccc12.
What is the InChIKey of 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole?
The InChIKey is PVZGHFGJRJCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-12-18(28-20(23-12)13-5-4-7-22-10-13)17-14-6-8-27-16(14)9-15(24-17)19-25-21(2,3)11-26-19/h4-10H,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole?
4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole has a molecular weight of 406.54 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole is sourced from PubChem (CID 123713625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).