[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C15H20N4O2S — CID 56779445

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C15H20N4O2S/c1-11-6-16-18(7-11)8-12-4-3-5-19(12)15(20)13-10-22-14(17-13)9-21-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyRGCOEHGWRIKLDK-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.10
Rot. Bonds5

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779445) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779445
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C15H20N4O2S/c1-11-6-16-18(7-11)8-12-4-3-5-19(12)15(20)13-10-22-14(17-13)9-21-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyRGCOEHGWRIKLDK-UHFFFAOYSA-N
XLogP2.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779445) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is COCc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is RGCOEHGWRIKLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-6-16-18(7-11)8-12-4-3-5-19(12)15(20)13-10-22-14(17-13)9-21-2/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 320.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).