[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C16H19N5O2S — CID 128967718

IUPAC[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C16H19N5O2S/c22-15(13-10-24-11-18-13)21-7-8-23-14(9-21)12-3-4-17-16(19-12)20-5-1-2-6-20/h3-4,10-11,14H,1-2,5-9H2
InChIKeyAISAPNVNXYCGDD-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.75
Rot. Bonds3

About [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 128967718) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID128967718
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C16H19N5O2S/c22-15(13-10-24-11-18-13)21-7-8-23-14(9-21)12-3-4-17-16(19-12)20-5-1-2-6-20/h3-4,10-11,14H,1-2,5-9H2
InChIKeyAISAPNVNXYCGDD-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3aS,7aS)-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 97369733
[2-(6-Amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271884
[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271885
5-[2-(2-Pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1,3-thiazole-2-carbonitrile
CID 178312596
N-methyl-4-{[3-(2-pyridinylmethoxy)-1-piperidinyl]carbonyl}-1,3-thiazol-2-amine
CID 70770532
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847623
[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847624
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847625
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847626
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847627
[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847628
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847629

Frequently Asked Questions

What is the IUPAC name of [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 128967718) is [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCOC(c2ccnc(N3CCCC3)n2)C1.
What is the InChIKey of [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is AISAPNVNXYCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-15(13-10-24-11-18-13)21-7-8-23-14(9-21)12-3-4-17-16(19-12)20-5-1-2-6-20/h3-4,10-11,14H,1-2,5-9H2.
What are the key properties of [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 128967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).