2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

C12H10N2OS3 — CID 47142123

IUPAC2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C12H10N2OS3/c1-8-5-17-12(13-8)18-7-9-6-16-11(14-9)10-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyXPFHWRZHJSXBCH-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.46
Rot. Bonds4

About 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 47142123) has the molecular formula C12H10N2OS3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID47142123
Molecular FormulaC12H10N2OS3
Molecular Weight294.43 g/mol
Exact Mass294.00
IUPAC Name2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C12H10N2OS3/c1-8-5-17-12(13-8)18-7-9-6-16-11(14-9)10-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyXPFHWRZHJSXBCH-UHFFFAOYSA-N
XLogP4.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (CID 47142123) is 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is Cc1csc(SCc2csc(-c3ccco3)n2)n1.
What is the InChIKey of 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is XPFHWRZHJSXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS3/c1-8-5-17-12(13-8)18-7-9-6-16-11(14-9)10-3-2-4-15-10/h2-6H,7H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 294.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 47142123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).