N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C16H18N4O2S — CID 52897671

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H18N4O2S/c21-14(18-16-17-12-6-3-7-13(12)23-16)9-20-15(22)8-10-4-1-2-5-11(10)19-20/h8H,1-7,9H2,(H,17,18,21)
InChIKeyKZRZPDQGRBGTSU-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.71
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 52897671) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID52897671
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H18N4O2S/c21-14(18-16-17-12-6-3-7-13(12)23-16)9-20-15(22)8-10-4-1-2-5-11(10)19-20/h8H,1-7,9H2,(H,17,18,21)
InChIKeyKZRZPDQGRBGTSU-UHFFFAOYSA-N
XLogP1.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 52897671) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is KZRZPDQGRBGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-14(18-16-17-12-6-3-7-13(12)23-16)9-20-15(22)8-10-4-1-2-5-11(10)19-20/h8H,1-7,9H2,(H,17,18,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 52897671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).