3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one

C15H19N5O2S — CID 110270563

IUPAC3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C15H19N5O2S/c1-22-9-5-13(21)20-8-2-4-12(20)11-10-23-15(18-11)19-14-16-6-3-7-17-14/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,16,17,18,19)
InChIKeyVSTZTNVZMJZDSQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.38
Rot. Bonds6

About 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110270563) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110270563
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C15H19N5O2S/c1-22-9-5-13(21)20-8-2-4-12(20)11-10-23-15(18-11)19-14-16-6-3-7-17-14/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,16,17,18,19)
InChIKeyVSTZTNVZMJZDSQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110270563) is 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCCC1c1csc(Nc2ncccn2)n1.
What is the InChIKey of 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VSTZTNVZMJZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-22-9-5-13(21)20-8-2-4-12(20)11-10-23-15(18-11)19-14-16-6-3-7-17-14/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,16,17,18,19).
What are the key properties of 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one?
3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).