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

C16H22N2O2S — CID 82515969

IUPACN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(-c2nc(CNCC(C)C)cs2)c1OC
InChIInChI=1S/C16H22N2O2S/c1-11(2)8-17-9-12-10-21-16(18-12)13-6-5-7-14(19-3)15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyIMUHWUPVPAXBEC-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.57
Rot. Bonds7

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

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82515969) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID82515969
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(-c2nc(CNCC(C)C)cs2)c1OC
InChIInChI=1S/C16H22N2O2S/c1-11(2)8-17-9-12-10-21-16(18-12)13-6-5-7-14(19-3)15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyIMUHWUPVPAXBEC-UHFFFAOYSA-N
XLogP3.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79020183
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 112796571
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8598527
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8958443
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7670150
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine (CID 82515969) is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine is COc1cccc(-c2nc(CNCC(C)C)cs2)c1OC.
What is the InChIKey of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMUHWUPVPAXBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)8-17-9-12-10-21-16(18-12)13-6-5-7-14(19-3)15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82515969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).