N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline

C16H23N3S — CID 62439248

IUPACN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
SMILESCC(C)CNCc1nc(CN(C)c2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-13(2)9-17-10-16-18-14(12-20-16)11-19(3)15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyFWMQIFQQXKVNNH-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.53
Rot. Bonds7

About N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline

N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 62439248) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
PubChem CID62439248
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
SMILESCC(C)CNCc1nc(CN(C)c2ccccc2)cs1
InChIInChI=1S/C16H23N3S/c1-13(2)9-17-10-16-18-14(12-20-16)11-19(3)15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyFWMQIFQQXKVNNH-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
N-methyl-4-[(2-methylpropylamino)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63071113
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62429443
2-methyl-N-[[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63865087
2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63024495
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63208924
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline (CID 62439248) is N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline is CC(C)CNCc1nc(CN(C)c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is FWMQIFQQXKVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-13(2)9-17-10-16-18-14(12-20-16)11-19(3)15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline?
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 289.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 62439248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).