3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C12H15N5O2S — CID 97114618

IUPAC3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cc([C@H]2CCOC2)nn1)Nc1nccs1
InChIInChI=1S/C12H15N5O2S/c18-11(14-12-13-3-6-20-12)1-4-17-7-10(15-16-17)9-2-5-19-8-9/h3,6-7,9H,1-2,4-5,8H2,(H,13,14,18)/t9-/m0/s1
InChIKeyIOURLSBGKUJBRL-VIFPVBQESA-N
MW293.35 g/mol
LogP1.27
Rot. Bonds5

About 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 97114618) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID97114618
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cc([C@H]2CCOC2)nn1)Nc1nccs1
InChIInChI=1S/C12H15N5O2S/c18-11(14-12-13-3-6-20-12)1-4-17-7-10(15-16-17)9-2-5-19-8-9/h3,6-7,9H,1-2,4-5,8H2,(H,13,14,18)/t9-/m0/s1
InChIKeyIOURLSBGKUJBRL-VIFPVBQESA-N
XLogP1.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 97114618) is 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1cc([C@H]2CCOC2)nn1)Nc1nccs1.
What is the InChIKey of 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IOURLSBGKUJBRL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-11(14-12-13-3-6-20-12)1-4-17-7-10(15-16-17)9-2-5-19-8-9/h3,6-7,9H,1-2,4-5,8H2,(H,13,14,18)/t9-/m0/s1.
What are the key properties of 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 97114618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).