N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

C16H16FN3OS — CID 31193723

IUPACN-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccco1)Cc1cnc(Nc2ccccc2F)s1
InChIInChI=1S/C16H16FN3OS/c1-20(10-12-5-4-8-21-12)11-13-9-18-16(22-13)19-15-7-3-2-6-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMYUHNMQMUDCQCB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds6

About N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 31193723) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID31193723
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC NameN-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1ccco1)Cc1cnc(Nc2ccccc2F)s1
InChIInChI=1S/C16H16FN3OS/c1-20(10-12-5-4-8-21-12)11-13-9-18-16(22-13)19-15-7-3-2-6-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMYUHNMQMUDCQCB-UHFFFAOYSA-N
XLogP4.25
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (CID 31193723) is N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is CN(Cc1ccco1)Cc1cnc(Nc2ccccc2F)s1.
What is the InChIKey of N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is MYUHNMQMUDCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-20(10-12-5-4-8-21-12)11-13-9-18-16(22-13)19-15-7-3-2-6-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 31193723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).