1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C13H14N4OS — CID 61284438

IUPAC1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1ccnc1C(NCc1nccs1)c1ccco1
InChIInChI=1S/C13H14N4OS/c1-17-6-4-15-13(17)12(10-3-2-7-18-10)16-9-11-14-5-8-19-11/h2-8,12,16H,9H2,1H3
InChIKeyXGBAAZHHRTZUFB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.35
Rot. Bonds5

About 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 61284438) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID61284438
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1ccnc1C(NCc1nccs1)c1ccco1
InChIInChI=1S/C13H14N4OS/c1-17-6-4-15-13(17)12(10-3-2-7-18-10)16-9-11-14-5-8-19-11/h2-8,12,16H,9H2,1H3
InChIKeyXGBAAZHHRTZUFB-UHFFFAOYSA-N
XLogP2.35
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 61284438) is 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Cn1ccnc1C(NCc1nccs1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is XGBAAZHHRTZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-17-6-4-15-13(17)12(10-3-2-7-18-10)16-9-11-14-5-8-19-11/h2-8,12,16H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 274.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 61284438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).