N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine

C14H18N2S2 — CID 66347819

IUPACN-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCc2scnc2C)c1
InChIInChI=1S/C14H18N2S2/c1-11-14(18-10-16-11)6-7-17-13-5-3-4-12(8-13)9-15-2/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyCGNZOMRTRCMPKT-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine

N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine (PubChem CID 66347819) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
PubChem CID66347819
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCc2scnc2C)c1
InChIInChI=1S/C14H18N2S2/c1-11-14(18-10-16-11)6-7-17-13-5-3-4-12(8-13)9-15-2/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyCGNZOMRTRCMPKT-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
4-[3-(methylaminomethyl)phenyl]sulfanylbutanenitrile
CID 66356239
N-methyl-1-[3-[2-(trifluoromethoxy)ethylsulfanyl]phenyl]methanamine
CID 66348029
N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66346852

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine (CID 66347819) is N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine is CNCc1cccc(SCCc2scnc2C)c1.
What is the InChIKey of N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine?
The InChIKey is CGNZOMRTRCMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-11-14(18-10-16-11)6-7-17-13-5-3-4-12(8-13)9-15-2/h3-5,8,10,15H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine?
N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine has a molecular weight of 278.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 66347819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).