N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

C14H19N3OS — CID 62462542

IUPACN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccoc1)Cc1csc(CNC2CC2)n1
InChIInChI=1S/C14H19N3OS/c1-17(7-11-4-5-18-9-11)8-13-10-19-14(16-13)6-15-12-2-3-12/h4-5,9-10,12,15H,2-3,6-8H2,1H3
InChIKeyRAXXCDJCOHGFSG-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.62
Rot. Bonds7

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

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62462542) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62462542
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccoc1)Cc1csc(CNC2CC2)n1
InChIInChI=1S/C14H19N3OS/c1-17(7-11-4-5-18-9-11)8-13-10-19-14(16-13)6-15-12-2-3-12/h4-5,9-10,12,15H,2-3,6-8H2,1H3
InChIKeyRAXXCDJCOHGFSG-UHFFFAOYSA-N
XLogP2.62
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62431152
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63837546
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62430946
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63681870
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62461571
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62462542) is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CN(Cc1ccoc1)Cc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is RAXXCDJCOHGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(7-11-4-5-18-9-11)8-13-10-19-14(16-13)6-15-12-2-3-12/h4-5,9-10,12,15H,2-3,6-8H2,1H3.
What are the key properties of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 277.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62462542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).