N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine

C11H14N2OS — CID 106887614

IUPACN-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccs2)o1
InChIInChI=1S/C11H14N2OS/c1-2-12-8-10-4-3-9(14-10)7-11-13-5-6-15-11/h3-6,12H,2,7-8H2,1H3
InChIKeyCTAPPGCMHLMCAL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.44
Rot. Bonds5

About N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine

N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887614) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID106887614
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccs2)o1
InChIInChI=1S/C11H14N2OS/c1-2-12-8-10-4-3-9(14-10)7-11-13-5-6-15-11/h3-6,12H,2,7-8H2,1H3
InChIKeyCTAPPGCMHLMCAL-UHFFFAOYSA-N
XLogP2.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
CID 10680599
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887414
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
N-[[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 106927475
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine (CID 106887614) is N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(Cc2nccs2)o1.
What is the InChIKey of N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is CTAPPGCMHLMCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-12-8-10-4-3-9(14-10)7-11-13-5-6-15-11/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).