N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine

C15H12ClFN2OS — CID 53271505

IUPACN-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1cccc(Cl)c1-c1cnc(CNCc2ccco2)s1
InChIInChI=1S/C15H12ClFN2OS/c16-11-4-1-5-12(17)15(11)13-8-19-14(21-13)9-18-7-10-3-2-6-20-10/h1-6,8,18H,7,9H2
InChIKeyPSTYEUHQIAIOIY-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.49
Rot. Bonds5

About N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 53271505) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID53271505
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC NameN-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1cccc(Cl)c1-c1cnc(CNCc2ccco2)s1
InChIInChI=1S/C15H12ClFN2OS/c16-11-4-1-5-12(17)15(11)13-8-19-14(21-13)9-18-7-10-3-2-6-20-10/h1-6,8,18H,7,9H2
InChIKeyPSTYEUHQIAIOIY-UHFFFAOYSA-N
XLogP4.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 53271505) is N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is Fc1cccc(Cl)c1-c1cnc(CNCc2ccco2)s1.
What is the InChIKey of N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is PSTYEUHQIAIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-11-4-1-5-12(17)15(11)13-8-19-14(21-13)9-18-7-10-3-2-6-20-10/h1-6,8,18H,7,9H2.
What are the key properties of N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 322.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 53271505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).