2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole

C17H14N2OS — CID 91013706

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccncc1-c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C17H14N2OS/c1-11-4-6-18-9-14(11)15-10-21-17(19-15)13-2-3-16-12(8-13)5-7-20-16/h2-4,6,8-10H,5,7H2,1H3
InChIKeyYCAQVESCIBILNT-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.12
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 91013706) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID91013706
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccncc1-c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C17H14N2OS/c1-11-4-6-18-9-14(11)15-10-21-17(19-15)13-2-3-16-12(8-13)5-7-20-16/h2-4,6,8-10H,5,7H2,1H3
InChIKeyYCAQVESCIBILNT-UHFFFAOYSA-N
XLogP4.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
2-(2-chlorophenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91378887
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
CID 67551034
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
CID 22049680
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole (CID 91013706) is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole is Cc1ccncc1-c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is YCAQVESCIBILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-4-6-18-9-14(11)15-10-21-17(19-15)13-2-3-16-12(8-13)5-7-20-16/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 294.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 91013706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).