4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide

C16H14N4O3S2 — CID 41213386

IUPAC4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-23-12-4-2-10(3-5-12)14(22)20-16-18-11(9-25-16)8-13(21)19-15-17-6-7-24-15/h2-7,9H,8H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyAQMXMHPEUBGFQZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.04
Rot. Bonds6

About 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41213386) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41213386
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-23-12-4-2-10(3-5-12)14(22)20-16-18-11(9-25-16)8-13(21)19-15-17-6-7-24-15/h2-7,9H,8H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyAQMXMHPEUBGFQZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813739
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
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-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 27443185
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16879227
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094418
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 41213386) is 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AQMXMHPEUBGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-23-12-4-2-10(3-5-12)14(22)20-16-18-11(9-25-16)8-13(21)19-15-17-6-7-24-15/h2-7,9H,8H2,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 374.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41213386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).