N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide

C18H22N4O2S — CID 98229661

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
SMILESCCc1cnc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)s1
InChIInChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23)/t12-,13-/m0/s1
InChIKeyCHYQGJMCBHMDLT-STQMWFEESA-N
MW358.47 g/mol
LogP1.92
Rot. Bonds4

About N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide

N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide (PubChem CID 98229661) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
PubChem CID98229661
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
SMILESCCc1cnc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)s1
InChIInChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23)/t12-,13-/m0/s1
InChIKeyCHYQGJMCBHMDLT-STQMWFEESA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide with MolForge

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Related Compounds

N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
CID 20975233
N-(5-bromo-2-pyridinyl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
CID 98083498
N-(5-bromo-2-pyridinyl)-2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
CID 51688826
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
CID 171153341
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
CID 20975234
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetic acid
CID 98202622
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 98201809
(1S,9R)-11-[(3R)-3-hydroxy-2-oxobutyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163008891
(1S,9S)-11-phenacyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162986453
(1S,9S)-11-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 77096134
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
N-(2,6-dichloro-4-nitrophenyl)-2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide
CID 98082944

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide (CID 98229661) is N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide is CCc1cnc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide?
The InChIKey is CHYQGJMCBHMDLT-STQMWFEESA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23)/t12-,13-/m0/s1.
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide is sourced from PubChem (CID 98229661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).