(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide

C18H22N6O2S — CID 7383409

IUPAC(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(C(=O)[C@H]1CCCO1)c1nnc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C18H22N6O2S/c1-12(2)10-23(17(25)15-8-5-9-26-15)18-21-20-16(27-18)11-24-14-7-4-3-6-13(14)19-22-24/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyIMYRETDSRWQHJU-OAHLLOKOSA-N
MW386.48 g/mol
LogP2.50
Rot. Bonds6

About (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide

(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 7383409) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide
PubChem CID7383409
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(C(=O)[C@H]1CCCO1)c1nnc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C18H22N6O2S/c1-12(2)10-23(17(25)15-8-5-9-26-15)18-21-20-16(27-18)11-24-14-7-4-3-6-13(14)19-22-24/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyIMYRETDSRWQHJU-OAHLLOKOSA-N
XLogP2.50
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide (CID 7383409) is (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide is CC(C)CN(C(=O)[C@H]1CCCO1)c1nnc(Cn2nnc3ccccc32)s1.
What is the InChIKey of (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is IMYRETDSRWQHJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-12(2)10-23(17(25)15-8-5-9-26-15)18-21-20-16(27-18)11-24-14-7-4-3-6-13(14)19-22-24/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide?
(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 7383409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).