N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine

C19H22N2OS2 — CID 55488970

IUPACN-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(OCc2nc(CN(C)Cc3sccc3C)cs2)cc1
InChIInChI=1S/C19H22N2OS2/c1-14-4-6-17(7-5-14)22-12-19-20-16(13-24-19)10-21(3)11-18-15(2)8-9-23-18/h4-9,13H,10-12H2,1-3H3
InChIKeyUTBYOMRPGFLEKS-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.03
Rot. Bonds7

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

N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 55488970) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID55488970
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(OCc2nc(CN(C)Cc3sccc3C)cs2)cc1
InChIInChI=1S/C19H22N2OS2/c1-14-4-6-17(7-5-14)22-12-19-20-16(13-24-19)10-21(3)11-18-15(2)8-9-23-18/h4-9,13H,10-12H2,1-3H3
InChIKeyUTBYOMRPGFLEKS-UHFFFAOYSA-N
XLogP5.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine with MolForge

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Related Compounds

[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714429
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009300
N-(1,3-benzothiazol-2-ylmethyl)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 17411684
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 55488970) is N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(OCc2nc(CN(C)Cc3sccc3C)cs2)cc1.
What is the InChIKey of N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is UTBYOMRPGFLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-14-4-6-17(7-5-14)22-12-19-20-16(13-24-19)10-21(3)11-18-15(2)8-9-23-18/h4-9,13H,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine?
N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 358.53 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 55488970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).