3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

C19H20N4O3S — CID 91632074

IUPAC3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)s1
InChIInChI=1S/C19H20N4O3S/c1-11-16(27-12(2)20-11)18(25)22-9-7-13(8-10-22)23-17(24)14-5-3-4-6-15(14)21-19(23)26/h3-6,13H,7-10H2,1-2H3,(H,21,26)
InChIKeyBWJIORPVYMAZIL-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.24
Rot. Bonds2

About 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 91632074) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID91632074
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)s1
InChIInChI=1S/C19H20N4O3S/c1-11-16(27-12(2)20-11)18(25)22-9-7-13(8-10-22)23-17(24)14-5-3-4-6-15(14)21-19(23)26/h3-6,13H,7-10H2,1-2H3,(H,21,26)
InChIKeyBWJIORPVYMAZIL-UHFFFAOYSA-N
XLogP2.24
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 91632074) is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is Cc1nc(C)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is BWJIORPVYMAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11-16(27-12(2)20-11)18(25)22-9-7-13(8-10-22)23-17(24)14-5-3-4-6-15(14)21-19(23)26/h3-6,13H,7-10H2,1-2H3,(H,21,26).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91632074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).