4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

C10H13N3OS — CID 61422644

IUPAC4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccoc1)Cc1csc(N)n1
InChIInChI=1S/C10H13N3OS/c1-13(4-8-2-3-14-6-8)5-9-7-15-10(11)12-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12)
InChIKeyUGVHBJBQRWVHQC-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.95
Rot. Bonds4

About 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 61422644) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID61422644
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccoc1)Cc1csc(N)n1
InChIInChI=1S/C10H13N3OS/c1-13(4-8-2-3-14-6-8)5-9-7-15-10(11)12-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12)
InChIKeyUGVHBJBQRWVHQC-UHFFFAOYSA-N
XLogP1.95
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (CID 61422644) is 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is CN(Cc1ccoc1)Cc1csc(N)n1.
What is the InChIKey of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is UGVHBJBQRWVHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13(4-8-2-3-14-6-8)5-9-7-15-10(11)12-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12).
What are the key properties of 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61422644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).