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

C15H21N3OS — CID 62461571

IUPACN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1csc(CNC2CC2)n1)Cc1ccco1
InChIInChI=1S/C15H21N3OS/c1-2-18(10-14-4-3-7-19-14)9-13-11-20-15(17-13)8-16-12-5-6-12/h3-4,7,11-12,16H,2,5-6,8-10H2,1H3
InChIKeySWLXAUGKVACREJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds8

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

N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62461571) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62461571
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1csc(CNC2CC2)n1)Cc1ccco1
InChIInChI=1S/C15H21N3OS/c1-2-18(10-14-4-3-7-19-14)9-13-11-20-15(17-13)8-16-12-5-6-12/h3-4,7,11-12,16H,2,5-6,8-10H2,1H3
InChIKeySWLXAUGKVACREJ-UHFFFAOYSA-N
XLogP3.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62430946
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 107401935
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62462542
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
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-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62461571) is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCN(Cc1csc(CNC2CC2)n1)Cc1ccco1.
What is the InChIKey of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is SWLXAUGKVACREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-18(10-14-4-3-7-19-14)9-13-11-20-15(17-13)8-16-12-5-6-12/h3-4,7,11-12,16H,2,5-6,8-10H2,1H3.
What are the key properties of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 291.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62461571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).