N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C14H16N4O2S — CID 136811645

IUPACN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CSCN1
InChIInChI=1S/C14H16N4O2S/c19-13-9-3-1-2-4-10(9)17-12(18-13)5-6-15-14(20)11-7-21-8-16-11/h1-4,11,16H,5-8H2,(H,15,20)(H,17,18,19)
InChIKeyGZQOHMUAPXXNCW-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.24
Rot. Bonds4

About N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 136811645) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID136811645
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC NameN-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CSCN1
InChIInChI=1S/C14H16N4O2S/c19-13-9-3-1-2-4-10(9)17-12(18-13)5-6-15-14(20)11-7-21-8-16-11/h1-4,11,16H,5-8H2,(H,15,20)(H,17,18,19)
InChIKeyGZQOHMUAPXXNCW-UHFFFAOYSA-N
XLogP0.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 155504407
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 137242270
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 136811645) is N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCc1nc2ccccc2c(=O)[nH]1)C1CSCN1.
What is the InChIKey of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GZQOHMUAPXXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-13-9-3-1-2-4-10(9)17-12(18-13)5-6-15-14(20)11-7-21-8-16-11/h1-4,11,16H,5-8H2,(H,15,20)(H,17,18,19).
What are the key properties of N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 136811645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).