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

C14H13N3OS — CID 53273448

IUPAC1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESc1ccc(-c2cnc(CNCc3ccco3)s2)nc1
InChIInChI=1S/C14H13N3OS/c1-2-6-16-12(5-1)13-9-17-14(19-13)10-15-8-11-4-3-7-18-11/h1-7,9,15H,8,10H2
InChIKeyXYIDYMOEXUTEAC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.09
Rot. Bonds5

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

1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 53273448) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID53273448
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESc1ccc(-c2cnc(CNCc3ccco3)s2)nc1
InChIInChI=1S/C14H13N3OS/c1-2-6-16-12(5-1)13-9-17-14(19-13)10-15-8-11-4-3-7-18-11/h1-7,9,15H,8,10H2
InChIKeyXYIDYMOEXUTEAC-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272679
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53271505
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53272207
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 53273506
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470
1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273482
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273377
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53272762
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 103701918

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine (CID 53273448) is 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine is c1ccc(-c2cnc(CNCc3ccco3)s2)nc1.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is XYIDYMOEXUTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-6-16-12(5-1)13-9-17-14(19-13)10-15-8-11-4-3-7-18-11/h1-7,9,15H,8,10H2.
What are the key properties of 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 53273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).