N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide

C18H19N3OS2 — CID 50982275

IUPACN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCC(c1nccs1)N(C)C(=O)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C18H19N3OS2/c1-13(17-19-8-10-24-17)21(2)18(22)14-5-3-6-15(11-14)20-12-16-7-4-9-23-16/h3-11,13,20H,12H2,1-2H3
InChIKeySHIZUWDWNPUXOB-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.65
Rot. Bonds6

About N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide

N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide (PubChem CID 50982275) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
PubChem CID50982275
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCC(c1nccs1)N(C)C(=O)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C18H19N3OS2/c1-13(17-19-8-10-24-17)21(2)18(22)14-5-3-6-15(11-14)20-12-16-7-4-9-23-16/h3-11,13,20H,12H2,1-2H3
InChIKeySHIZUWDWNPUXOB-UHFFFAOYSA-N
XLogP4.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
N-methyl-3-[(3-methylthiophen-2-yl)methylamino]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50973272
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50980427
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 154850938
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46998479
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide (CID 50982275) is N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide is CC(c1nccs1)N(C)C(=O)c1cccc(NCc2cccs2)c1.
What is the InChIKey of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is SHIZUWDWNPUXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13(17-19-8-10-24-17)21(2)18(22)14-5-3-6-15(11-14)20-12-16-7-4-9-23-16/h3-11,13,20H,12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide?
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 357.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 50982275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).