N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine

C15H15N3OS — CID 53272207

IUPACN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCc2ncc(-c3ccco3)s2)nc1
InChIInChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-11-15-18-10-14(20-15)13-5-3-9-19-13/h1-5,7,9-10,16H,6,8,11H2
InChIKeyCRCHKFGHGJEULE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.13
Rot. Bonds6

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

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 53272207) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID53272207
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCc2ncc(-c3ccco3)s2)nc1
InChIInChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-11-15-18-10-14(20-15)13-5-3-9-19-13/h1-5,7,9-10,16H,6,8,11H2
InChIKeyCRCHKFGHGJEULE-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53272762
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
CID 53272240
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 115651235
N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 79889626
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 53273420
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine (CID 53272207) is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine is c1ccc(CCNCc2ncc(-c3ccco3)s2)nc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is CRCHKFGHGJEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-7-17-12(4-1)6-8-16-11-15-18-10-14(20-15)13-5-3-9-19-13/h1-5,7,9-10,16H,6,8,11H2.
What are the key properties of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 53272207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).