N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine

C16H16N2OS — CID 106887618

IUPACN-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c1-17-10-15-13(7-8-19-15)9-16-18-14(11-20-16)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeySHULVNDMZJPJIN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine (PubChem CID 106887618) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine
PubChem CID106887618
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c1-17-10-15-13(7-8-19-15)9-16-18-14(11-20-16)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeySHULVNDMZJPJIN-UHFFFAOYSA-N
XLogP3.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride
CID 67215069
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106887629

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine (CID 106887618) is N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine is CNCc1occc1Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine?
The InChIKey is SHULVNDMZJPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-17-10-15-13(7-8-19-15)9-16-18-14(11-20-16)12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 106887618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).