N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine

C17H18N2OS — CID 82102767

IUPACN-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1sc(CCNCc2ccco2)nc1-c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-13-17(14-6-3-2-4-7-14)19-16(21-13)9-10-18-12-15-8-5-11-20-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyXFDHVWXPXUHIFQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.04
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine

N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82102767) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID82102767
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1sc(CCNCc2ccco2)nc1-c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-13-17(14-6-3-2-4-7-14)19-16(21-13)9-10-18-12-15-8-5-11-20-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyXFDHVWXPXUHIFQ-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 115618496
2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 133490478
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 110014751
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 82102767) is N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine is Cc1sc(CCNCc2ccco2)nc1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XFDHVWXPXUHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-17(14-6-3-2-4-7-14)19-16(21-13)9-10-18-12-15-8-5-11-20-15/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 298.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).