5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole

C14H13NOS2 — CID 137395591

IUPAC5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cc2ccc(Cc3ccco3)s2)s1
InChIInChI=1S/C14H13NOS2/c1-10-15-9-14(17-10)8-13-5-4-12(18-13)7-11-3-2-6-16-11/h2-6,9H,7-8H2,1H3
InChIKeyZBJLWOVXZMKYLP-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.29
Rot. Bonds4

About 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole

5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 137395591) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID137395591
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cc2ccc(Cc3ccco3)s2)s1
InChIInChI=1S/C14H13NOS2/c1-10-15-9-14(17-10)8-13-5-4-12(18-13)7-11-3-2-6-16-11/h2-6,9H,7-8H2,1H3
InChIKeyZBJLWOVXZMKYLP-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106785696
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CID 106785710
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CID 106786561
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CID 113876938
CID 113876938
CID 113877016
CID 113877016
CID 125451921
CID 125451921
CID 45121682
CID 45121682
CID 57833842
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CID 57834043
CID 57834043

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole (CID 137395591) is 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(Cc2ccc(Cc3ccco3)s2)s1.
What is the InChIKey of 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is ZBJLWOVXZMKYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c1-10-15-9-14(17-10)8-13-5-4-12(18-13)7-11-3-2-6-16-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole?
5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 275.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-ylmethyl)thiophen-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 137395591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).