butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

C17H20N4O2S — CID 24970433

IUPACbutyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCCCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C17H20N4O2S/c1-4-5-8-23-15(18)16-20-12-7-6-11-13(14(12)24-16)17(22)21(9-19-11)10(2)3/h6-7,9-10,18H,4-5,8H2,1-3H3/b18-15-
InChIKeyYYWGDJIEQNZXDR-SDXDJHTJSA-N
MW344.44 g/mol
LogP3.73
Rot. Bonds5

About butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 24970433) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namebutyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID24970433
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Namebutyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCCCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C17H20N4O2S/c1-4-5-8-23-15(18)16-20-12-7-6-11-13(14(12)24-16)17(22)21(9-19-11)10(2)3/h6-7,9-10,18H,4-5,8H2,1-3H3/b18-15-
InChIKeyYYWGDJIEQNZXDR-SDXDJHTJSA-N
XLogP3.73
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate with MolForge

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Launch Full Analysis

Related Compounds

8-Cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
CID 145997893
N-(2-(dimethylamino)ethyl)-8-isopropyl-9-oxo-8,9-dihydrothiazolo[5,4-f]quinazoline-2-carboxamidine
CID 16007031
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid isopropyl ester
CID 24970385
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid butyl ester
CID 24970386
2-Phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 24970387
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid ethyl ester
CID 24970432
N'-benzyl-9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 24970435
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid benzyl ester
CID 24970436
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid isopropyl ester
CID 24970437
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid benzyl ester
CID 24970438
Methyl 8-cyclopropyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 145981446
8-Benzyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
CID 168297340

Frequently Asked Questions

What is the IUPAC name of butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 24970433) is butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OCCCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1.
What is the InChIKey of butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is YYWGDJIEQNZXDR-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-5-8-23-15(18)16-20-12-7-6-11-13(14(12)24-16)17(22)21(9-19-11)10(2)3/h6-7,9-10,18H,4-5,8H2,1-3H3/b18-15-.
What are the key properties of butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 344.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 24970433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).