N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H21N7O2S — CID 124842295

IUPACN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C16H21N7O2S/c24-13(19-16-21-20-14(26-16)12-3-1-10-25-12)11-22-6-8-23(9-7-22)15-17-4-2-5-18-15/h2,4-5,12H,1,3,6-11H2,(H,19,21,24)/t12-/m1/s1
InChIKeyBZILAPZWBVLVOT-GFCCVEGCSA-N
MW375.46 g/mol
LogP0.94
Rot. Bonds5

About N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 124842295) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID124842295
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C16H21N7O2S/c24-13(19-16-21-20-14(26-16)12-3-1-10-25-12)11-22-6-8-23(9-7-22)15-17-4-2-5-18-15/h2,4-5,12H,1,3,6-11H2,(H,19,21,24)/t12-/m1/s1
InChIKeyBZILAPZWBVLVOT-GFCCVEGCSA-N
XLogP0.94
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749946
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
CID 124844510
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 97263465
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 169450436
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 124842295) is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1nnc([C@H]2CCCO2)s1.
What is the InChIKey of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BZILAPZWBVLVOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N7O2S/c24-13(19-16-21-20-14(26-16)12-3-1-10-25-12)11-22-6-8-23(9-7-22)15-17-4-2-5-18-15/h2,4-5,12H,1,3,6-11H2,(H,19,21,24)/t12-/m1/s1.
What are the key properties of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 375.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 124842295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).