(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide

C16H27N3O2S — CID 164639811

IUPAC(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)Nc1ncsc1C(C)C
InChIInChI=1S/C16H27N3O2S/c1-5-7-16(10-21-4)8-6-9-19(16)15(20)18-14-13(12(2)3)22-11-17-14/h11-12H,5-10H2,1-4H3,(H,18,20)/t16-/m1/s1
InChIKeyORCNZBYRPQDADM-MRXNPFEDSA-N
MW325.48 g/mol
LogP4.08
Rot. Bonds6

About (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide

(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide (PubChem CID 164639811) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide
PubChem CID164639811
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)Nc1ncsc1C(C)C
InChIInChI=1S/C16H27N3O2S/c1-5-7-16(10-21-4)8-6-9-19(16)15(20)18-14-13(12(2)3)22-11-17-14/h11-12H,5-10H2,1-4H3,(H,18,20)/t16-/m1/s1
InChIKeyORCNZBYRPQDADM-MRXNPFEDSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide (CID 164639811) is (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide is CCC[C@]1(COC)CCCN1C(=O)Nc1ncsc1C(C)C.
What is the InChIKey of (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide?
The InChIKey is ORCNZBYRPQDADM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-5-7-16(10-21-4)8-6-9-19(16)15(20)18-14-13(12(2)3)22-11-17-14/h11-12H,5-10H2,1-4H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide?
(2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-N-(5-propan-2-yl-1,3-thiazol-4-yl)-2-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164639811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).