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

C16H16N2OS2 — CID 106486267

IUPACN-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H16N2OS2/c1-17-8-12-2-4-15(5-3-12)19-9-14-11-21-16(18-14)13-6-7-20-10-13/h2-7,10-11,17H,8-9H2,1H3
InChIKeyLFUZZUCKXBZVRZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.17
Rot. Bonds6

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

N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 106486267) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID106486267
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C16H16N2OS2/c1-17-8-12-2-4-15(5-3-12)19-9-14-11-21-16(18-14)13-6-7-20-10-13/h2-7,10-11,17H,8-9H2,1H3
InChIKeyLFUZZUCKXBZVRZ-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
CID 18273893
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129846
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 106486267) is N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CNCc1ccc(OCc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is LFUZZUCKXBZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-17-8-12-2-4-15(5-3-12)19-9-14-11-21-16(18-14)13-6-7-20-10-13/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 316.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106486267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).