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

C18H17N3O2S2 — CID 18163531

IUPACN-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccsc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N3O2S2/c1-21(10-13-7-8-24-11-13)16(22)9-15-12-25-18(19-15)20-17(23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,20,23)
InChIKeyTUEWLMULMRTFLB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.66
Rot. Bonds6

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

N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18163531) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18163531
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccsc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N3O2S2/c1-21(10-13-7-8-24-11-13)16(22)9-15-12-25-18(19-15)20-17(23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,20,23)
InChIKeyTUEWLMULMRTFLB-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134058671
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86878097
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55371992
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 56705022
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55896812
N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 31832978
N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38035313
N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 39155108
N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 39859559
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18163531) is N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN(Cc1ccsc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is TUEWLMULMRTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-21(10-13-7-8-24-11-13)16(22)9-15-12-25-18(19-15)20-17(23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,20,23).
What are the key properties of N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 371.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18163531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).