2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

C15H23N3S2 — CID 62422465

IUPAC2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN(C)Cc2cccs2)cs1
InChIInChI=1S/C15H23N3S2/c1-12(2)7-16-8-15-17-13(11-20-15)9-18(3)10-14-5-4-6-19-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyJMWVNJIFHKKCIY-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.58
Rot. Bonds8

About 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62422465) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62422465
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC Name2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN(C)Cc2cccs2)cs1
InChIInChI=1S/C15H23N3S2/c1-12(2)7-16-8-15-17-13(11-20-15)9-18(3)10-14-5-4-6-19-14/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyJMWVNJIFHKKCIY-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
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
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63208924
N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62280461
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62422465) is 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(CN(C)Cc2cccs2)cs1.
What is the InChIKey of 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is JMWVNJIFHKKCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-12(2)7-16-8-15-17-13(11-20-15)9-18(3)10-14-5-4-6-19-14/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62422465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).