N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

C17H16N4O3S — CID 33040669

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H16N4O3S/c22-14(19-16-18-11-5-3-7-13(11)25-16)8-9-21-12-6-2-1-4-10(12)15(23)20-17(21)24/h1-2,4,6H,3,5,7-9H2,(H,18,19,22)(H,20,23,24)
InChIKeyZIGPZTRRTXSQRA-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.66
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 33040669) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID33040669
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H16N4O3S/c22-14(19-16-18-11-5-3-7-13(11)25-16)8-9-21-12-6-2-1-4-10(12)15(23)20-17(21)24/h1-2,4,6H,3,5,7-9H2,(H,18,19,22)(H,20,23,24)
InChIKeyZIGPZTRRTXSQRA-UHFFFAOYSA-N
XLogP1.66
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 56762950
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
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CID 863094
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 55980582
3-(2,4-dioxoquinazolin-1-yl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 39054988
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119566494
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 2942858
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
CID 119566493

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 33040669) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is ZIGPZTRRTXSQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-14(19-16-18-11-5-3-7-13(11)25-16)8-9-21-12-6-2-1-4-10(12)15(23)20-17(21)24/h1-2,4,6H,3,5,7-9H2,(H,18,19,22)(H,20,23,24).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 356.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 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)-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 33040669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).