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

C13H16N6O2S — CID 97263465

IUPACN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H16N6O2S/c20-10(4-7-16-12-14-5-2-6-15-12)17-13-19-18-11(22-13)9-3-1-8-21-9/h2,5-6,9H,1,3-4,7-8H2,(H,14,15,16)(H,17,19,20)/t9-/m1/s1
InChIKeyZXAYDKQTQMJIRI-SECBINFHSA-N
MW320.38 g/mol
LogP1.62
Rot. Bonds6

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

N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 97263465) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID97263465
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C13H16N6O2S/c20-10(4-7-16-12-14-5-2-6-15-12)17-13-19-18-11(22-13)9-3-1-8-21-9/h2,5-6,9H,1,3-4,7-8H2,(H,14,15,16)(H,17,19,20)/t9-/m1/s1
InChIKeyZXAYDKQTQMJIRI-SECBINFHSA-N
XLogP1.62
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide (CID 97263465) is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide is O=C(CCNc1ncccn1)Nc1nnc([C@H]2CCCO2)s1.
What is the InChIKey of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is ZXAYDKQTQMJIRI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N6O2S/c20-10(4-7-16-12-14-5-2-6-15-12)17-13-19-18-11(22-13)9-3-1-8-21-9/h2,5-6,9H,1,3-4,7-8H2,(H,14,15,16)(H,17,19,20)/t9-/m1/s1.
What are the key properties of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide?
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 320.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 97263465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).