4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine

C15H20N2OS — CID 79820048

IUPAC4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-16-13(8-9-18-2)10-15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyIOYRMQKVLPIZTG-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.98
Rot. Bonds7

About 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine

4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79820048) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID79820048
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-16-13(8-9-18-2)10-15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyIOYRMQKVLPIZTG-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (CID 79820048) is 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is CNC(CCOC)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is IOYRMQKVLPIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-16-13(8-9-18-2)10-15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79820048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).