2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H24N6O3S — CID 92640436

IUPAC2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C19H24N6O3S/c1-13-21-11-14(18(27)24-6-8-28-9-7-24)17(22-13)15-3-2-5-25(15)12-16(26)23-19-20-4-10-29-19/h4,10-11,15H,2-3,5-9,12H2,1H3,(H,20,23,26)/t15-/m0/s1
InChIKeyNETQNYRLTLDWIV-HNNXBMFYSA-N
MW416.51 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92640436) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID92640436
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C19H24N6O3S/c1-13-21-11-14(18(27)24-6-8-28-9-7-24)17(22-13)15-3-2-5-25(15)12-16(26)23-19-20-4-10-29-19/h4,10-11,15H,2-3,5-9,12H2,1H3,(H,20,23,26)/t15-/m0/s1
InChIKeyNETQNYRLTLDWIV-HNNXBMFYSA-N
XLogP1.49
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 92640436) is 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2CC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NETQNYRLTLDWIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-13-21-11-14(18(27)24-6-8-28-9-7-24)17(22-13)15-3-2-5-25(15)12-16(26)23-19-20-4-10-29-19/h4,10-11,15H,2-3,5-9,12H2,1H3,(H,20,23,26)/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92640436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).