4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole

C19H17N3OS — CID 2446360

IUPAC4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H17N3OS/c1-13-10-16(14(2)22(13)11-15-6-5-9-23-15)18-12-24-19(21-18)17-7-3-4-8-20-17/h3-10,12H,11H2,1-2H3
InChIKeyZULINHRCBIGEHC-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.93
Rot. Bonds4

About 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole

4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 2446360) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID2446360
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H17N3OS/c1-13-10-16(14(2)22(13)11-15-6-5-9-23-15)18-12-24-19(21-18)17-7-3-4-8-20-17/h3-10,12H,11H2,1-2H3
InChIKeyZULINHRCBIGEHC-UHFFFAOYSA-N
XLogP4.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 7602094
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole
CID 60529037
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
4-(2-chlorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 17475261
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174025
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
5-(3-chlorophenyl)-3-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 90710045
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole (CID 2446360) is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole is Cc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1ccco1.
What is the InChIKey of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is ZULINHRCBIGEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-10-16(14(2)22(13)11-15-6-5-9-23-15)18-12-24-19(21-18)17-7-3-4-8-20-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole?
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 335.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 2446360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).