3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one

C12H12N4OS — CID 136960117

IUPAC3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one
SMILESCC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1
InChIInChI=1S/C12H12N4OS/c1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11/h3-5H,1-2H3,(H2,13,16)(H,14,15,17)
InChIKeyKQOGZGIOANEGKI-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.24
Rot. Bonds1

About 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one

3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one (PubChem CID 136960117) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one.

Molecular Properties

Compound Name3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one
PubChem CID136960117
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one
SMILESCC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1
InChIInChI=1S/C12H12N4OS/c1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11/h3-5H,1-2H3,(H2,13,16)(H,14,15,17)
InChIKeyKQOGZGIOANEGKI-UHFFFAOYSA-N
XLogP2.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one
CID 161193692
2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-2-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-one
CID 137197788
2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-2-methyl-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-3-one
CID 136506715
2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]morpholin-3-one
CID 137014914
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
CID 165134582
2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one
CID 137157804
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
9-iodo-3-methyl-2H-benzo[f]quinazolin-1-one
CID 135838229
7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
CID 137292748
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one?
The IUPAC name of 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one (CID 136960117) is 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one.
What is the SMILES notation for 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one?
The canonical SMILES for 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one is CC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1.
What is the InChIKey of 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one?
The InChIKey is KQOGZGIOANEGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11/h3-5H,1-2H3,(H2,13,16)(H,14,15,17).
What are the key properties of 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one?
3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one has a molecular weight of 260.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one is sourced from PubChem (CID 136960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).