7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17N5O2S — CID 135520073

IUPAC7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17N5O2S/c1-2-22(10-12-9-16(24)23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-9H,2,10-11H2,1H3,(H,20,21,25)
InChIKeyGAPZEUGGJUYNNV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.01
Rot. Bonds5

About 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135520073) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135520073
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17N5O2S/c1-2-22(10-12-9-16(24)23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-9H,2,10-11H2,1H3,(H,20,21,25)
InChIKeyGAPZEUGGJUYNNV-UHFFFAOYSA-N
XLogP2.01
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one
CID 135569895
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
7-[(N-ethyl-4-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 141442091
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[[(3-chloro-1-benzothiophen-2-yl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135777061

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135520073) is 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2ccsc2n1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GAPZEUGGJUYNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-22(10-12-9-16(24)23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-9H,2,10-11H2,1H3,(H,20,21,25).
What are the key properties of 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 367.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135520073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).