N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine

C12H23N3S — CID 62420119

IUPACN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(Cc1csc(CNC)n1)C(C)C
InChIInChI=1S/C12H23N3S/c1-5-6-15(10(2)3)8-11-9-16-12(14-11)7-13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyVVOMISPBYHEDRT-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.48
Rot. Bonds7

About N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine

N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 62420119) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
PubChem CID62420119
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(Cc1csc(CNC)n1)C(C)C
InChIInChI=1S/C12H23N3S/c1-5-6-15(10(2)3)8-11-9-16-12(14-11)7-13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyVVOMISPBYHEDRT-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665890
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
CID 81068191
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436536

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine (CID 62420119) is N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine is CCCN(Cc1csc(CNC)n1)C(C)C.
What is the InChIKey of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is VVOMISPBYHEDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-6-15(10(2)3)8-11-9-16-12(14-11)7-13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine?
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62420119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).