N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine

C12H14N2OS — CID 106887612

IUPACN-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1csc(Cc2ccoc2CNC2CC2)n1
InChIInChI=1S/C12H14N2OS/c1-2-10(1)14-8-11-9(3-5-15-11)7-12-13-4-6-16-12/h3-6,10,14H,1-2,7-8H2
InChIKeyRHMHTPMEPLGBGO-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.58
Rot. Bonds5

About N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887612) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106887612
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1csc(Cc2ccoc2CNC2CC2)n1
InChIInChI=1S/C12H14N2OS/c1-2-10(1)14-8-11-9(3-5-15-11)7-12-13-4-6-16-12/h3-6,10,14H,1-2,7-8H2
InChIKeyRHMHTPMEPLGBGO-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106887629
N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825179
N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 113469745
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 62448348
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine (CID 106887612) is N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine is c1csc(Cc2ccoc2CNC2CC2)n1.
What is the InChIKey of N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RHMHTPMEPLGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-10(1)14-8-11-9(3-5-15-11)7-12-13-4-6-16-12/h3-6,10,14H,1-2,7-8H2.
What are the key properties of N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 234.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).