2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide

C21H25N3O2S2 — CID 45195426

IUPAC2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)cs1
InChIInChI=1S/C21H25N3O2S2/c1-15(11-22-21(25)20-14-28-16(2)23-20)26-18-7-4-6-17(10-18)12-24(3)13-19-8-5-9-27-19/h4-10,14-15H,11-13H2,1-3H3,(H,22,25)
InChIKeyGXAWNUYLNQUSKV-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.34
Rot. Bonds9

About 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 45195426) has the molecular formula C21H25N3O2S2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
PubChem CID45195426
Molecular FormulaC21H25N3O2S2
Molecular Weight415.58 g/mol
Exact Mass415.14
IUPAC Name2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)cs1
InChIInChI=1S/C21H25N3O2S2/c1-15(11-22-21(25)20-14-28-16(2)23-20)26-18-7-4-6-17(10-18)12-24(3)13-19-8-5-9-27-19/h4-10,14-15H,11-13H2,1-3H3,(H,22,25)
InChIKeyGXAWNUYLNQUSKV-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26341394
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
CID 42499806
2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 42407028
2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636229
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 71792859
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
CID 42163229

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide (CID 45195426) is 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)cs1.
What is the InChIKey of 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GXAWNUYLNQUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S2/c1-15(11-22-21(25)20-14-28-16(2)23-20)26-18-7-4-6-17(10-18)12-24(3)13-19-8-5-9-27-19/h4-10,14-15H,11-13H2,1-3H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45195426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).