(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide

C15H24N4O2S — CID 95964600

IUPAC(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-12-10-21-9-8-19(12)14(20)16-5-4-13-11-22-15(17-13)18-6-2-3-7-18/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyKWEFGURYYVMRAK-LBPRGKRZSA-N
MW324.45 g/mol
LogP1.72
Rot. Bonds4

About (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide

(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (PubChem CID 95964600) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
PubChem CID95964600
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-12-10-21-9-8-19(12)14(20)16-5-4-13-11-22-15(17-13)18-6-2-3-7-18/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyKWEFGURYYVMRAK-LBPRGKRZSA-N
XLogP1.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (CID 95964600) is (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is C[C@H]1COCCN1C(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is KWEFGURYYVMRAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-10-21-9-8-19(12)14(20)16-5-4-13-11-22-15(17-13)18-6-2-3-7-18/h11-12H,2-10H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 95964600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).