N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide

C16H14N4O3S2 — CID 91813739

IUPACN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1
InChIInChI=1S/C16H14N4O3S2/c1-17-13(21)8-11-9-25-15(19-11)20-14(22)10-2-4-12(5-3-10)23-16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H,17,21)(H,19,20,22)
InChIKeyGAQOUCRSGGXAHS-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 91813739) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID91813739
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1
InChIInChI=1S/C16H14N4O3S2/c1-17-13(21)8-11-9-25-15(19-11)20-14(22)10-2-4-12(5-3-10)23-16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H,17,21)(H,19,20,22)
InChIKeyGAQOUCRSGGXAHS-UHFFFAOYSA-N
XLogP2.93
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213386
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094418
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813731
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 27463148
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide (CID 91813739) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide is CNC(=O)Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is GAQOUCRSGGXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-17-13(21)8-11-9-25-15(19-11)20-14(22)10-2-4-12(5-3-10)23-16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H,17,21)(H,19,20,22).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide?
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 374.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 91813739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).