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

C19H21N5O3S — CID 91632078

IUPAC3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCCCc1nnsc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C19H21N5O3S/c1-2-5-15-16(28-22-21-15)18(26)23-10-8-12(9-11-23)24-17(25)13-6-3-4-7-14(13)20-19(24)27/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,20,27)
InChIKeyKWYVEAWOVSXPEQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.97
Rot. Bonds4

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

3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 91632078) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID91632078
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESCCCc1nnsc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C19H21N5O3S/c1-2-5-15-16(28-22-21-15)18(26)23-10-8-12(9-11-23)24-17(25)13-6-3-4-7-14(13)20-19(24)27/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,20,27)
InChIKeyKWYVEAWOVSXPEQ-UHFFFAOYSA-N
XLogP1.97
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 91632078) is 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is CCCc1nnsc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is KWYVEAWOVSXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-2-5-15-16(28-22-21-15)18(26)23-10-8-12(9-11-23)24-17(25)13-6-3-4-7-14(13)20-19(24)27/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,20,27).
What are the key properties of 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 399.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91632078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).