N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H22N2OS — CID 106793139

IUPACN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(C)ccc1-c1ncc(CNCC(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-11(2)8-17-9-13-10-18-16(20-13)14-6-5-12(3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeySGZIKJVEFJMKFG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.87
Rot. Bonds6

About N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106793139) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID106793139
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(C)ccc1-c1ncc(CNCC(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-11(2)8-17-9-13-10-18-16(20-13)14-6-5-12(3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeySGZIKJVEFJMKFG-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106793138
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81277433
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63096520
N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107915402
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66423104
N-[[5-[(2-bromo-4-methylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558674

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 106793139) is N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is COc1cc(C)ccc1-c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SGZIKJVEFJMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)8-17-9-13-10-18-16(20-13)14-6-5-12(3)7-15(14)19-4/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106793139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).