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

C12H14N2OS — CID 115655386

IUPAC1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
SMILESc1csc(C(NCc2ccoc2)C2CC2)n1
InChIInChI=1S/C12H14N2OS/c1-2-10(1)11(12-13-4-6-16-12)14-7-9-3-5-15-8-9/h3-6,8,10-11,14H,1-2,7H2
InChIKeyYKNAOILMLUBFQW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.98
Rot. Bonds5

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

1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 115655386) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
PubChem CID115655386
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
SMILESc1csc(C(NCc2ccoc2)C2CC2)n1
InChIInChI=1S/C12H14N2OS/c1-2-10(1)11(12-13-4-6-16-12)14-7-9-3-5-15-8-9/h3-6,8,10-11,14H,1-2,7H2
InChIKeyYKNAOILMLUBFQW-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine (CID 115655386) is 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine is c1csc(C(NCc2ccoc2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is YKNAOILMLUBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-10(1)11(12-13-4-6-16-12)14-7-9-3-5-15-8-9/h3-6,8,10-11,14H,1-2,7H2.
What are the key properties of 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 115655386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).