2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C14H14N4O2S — CID 95117017

IUPAC2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2sc(NC[C@@H]3CCCO3)nn12
InChIInChI=1S/C14H14N4O2S/c19-12-10-5-1-2-6-11(10)16-14-18(12)17-13(21-14)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,17)/t9-/m0/s1
InChIKeyGKMWUDMOPSEQCT-VIFPVBQESA-N
MW302.36 g/mol
LogP1.90
Rot. Bonds3

About 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 95117017) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID95117017
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2sc(NC[C@@H]3CCCO3)nn12
InChIInChI=1S/C14H14N4O2S/c19-12-10-5-1-2-6-11(10)16-14-18(12)17-13(21-14)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,17)/t9-/m0/s1
InChIKeyGKMWUDMOPSEQCT-VIFPVBQESA-N
XLogP1.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-bromo-2-[[(2R)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 95117020
7-bromo-2-(oxolan-2-ylmethylamino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209756
2-[4-oxo-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile
CID 9478223
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
N-(oxolan-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 63373288
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6624956
2-[(1S)-1-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135569572
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
N-(oxolan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2947527
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 95117017) is 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2sc(NC[C@@H]3CCCO3)nn12.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is GKMWUDMOPSEQCT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-12-10-5-1-2-6-11(10)16-14-18(12)17-13(21-14)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,15,17)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 302.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 95117017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).