N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C16H15N5O3S — CID 51720272

IUPACN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1
InChIInChI=1S/C16H15N5O3S/c22-13(18-16-20-19-14(25-16)12-6-3-7-24-12)8-21-9-17-11-5-2-1-4-10(11)15(21)23/h1-2,4-5,9,12H,3,6-8H2,(H,18,20,22)/t12-/m0/s1
InChIKeyFREKHSUOIPSCRL-LBPRGKRZSA-N
MW357.40 g/mol
LogP1.74
Rot. Bonds4

About N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 51720272) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID51720272
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1
InChIInChI=1S/C16H15N5O3S/c22-13(18-16-20-19-14(25-16)12-6-3-7-24-12)8-21-9-17-11-5-2-1-4-10(11)15(21)23/h1-2,4-5,9,12H,3,6-8H2,(H,18,20,22)/t12-/m0/s1
InChIKeyFREKHSUOIPSCRL-LBPRGKRZSA-N
XLogP1.74
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 52898613
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711049
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
3-[[5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2219291
2-(2-bromophenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178796
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761808
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 51720272) is N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1.
What is the InChIKey of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FREKHSUOIPSCRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N5O3S/c22-13(18-16-20-19-14(25-16)12-6-3-7-24-12)8-21-9-17-11-5-2-1-4-10(11)15(21)23/h1-2,4-5,9,12H,3,6-8H2,(H,18,20,22)/t12-/m0/s1.
What are the key properties of N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51720272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).