7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine

C16H10BrN3S2 — CID 123513218

IUPAC7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
SMILESCc1nc(-c2cccnc2)sc1-c1ncc(Br)c2sccc12
InChIInChI=1S/C16H10BrN3S2/c1-9-14(22-16(20-9)10-3-2-5-18-7-10)13-11-4-6-21-15(11)12(17)8-19-13/h2-8H,1H3
InChIKeySJYHEWQCKUOPQA-UHFFFAOYSA-N
MW388.32 g/mol
LogP5.55
Rot. Bonds2

About 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine

7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine (PubChem CID 123513218) has the molecular formula C16H10BrN3S2 and a molecular weight of 388.32 g/mol. Its IUPAC name is 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
PubChem CID123513218
Molecular FormulaC16H10BrN3S2
Molecular Weight388.32 g/mol
Exact Mass386.95
IUPAC Name7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
SMILESCc1nc(-c2cccnc2)sc1-c1ncc(Br)c2sccc12
InChIInChI=1S/C16H10BrN3S2/c1-9-14(22-16(20-9)10-3-2-5-18-7-10)13-11-4-6-21-15(11)12(17)8-19-13/h2-8H,1H3
InChIKeySJYHEWQCKUOPQA-UHFFFAOYSA-N
XLogP5.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
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
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine
CID 118073291
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
4-methyl-2-pyridin-3-yl-5-(1-pyridin-2-ylpyrazolo[5,4-b]pyridin-6-yl)-1,3-thiazole
CID 123454399

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?
The IUPAC name of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine (CID 123513218) is 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine is Cc1nc(-c2cccnc2)sc1-c1ncc(Br)c2sccc12.
What is the InChIKey of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?
The InChIKey is SJYHEWQCKUOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3S2/c1-9-14(22-16(20-9)10-3-2-5-18-7-10)13-11-4-6-21-15(11)12(17)8-19-13/h2-8H,1H3.
What are the key properties of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?
7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine has a molecular weight of 388.32 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 123513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).