[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone

C16H21N3O2S2 — CID 127940351

IUPAC[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOC(C)c1nc(C)c(C(=O)N2CCCC2c2csc(C)n2)s1
InChIInChI=1S/C16H21N3O2S2/c1-9-14(23-15(17-9)10(2)21-4)16(20)19-7-5-6-13(19)12-8-22-11(3)18-12/h8,10,13H,5-7H2,1-4H3
InChIKeyGVYYZNDNILGZMV-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.90
Rot. Bonds4

About [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone

[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 127940351) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID127940351
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOC(C)c1nc(C)c(C(=O)N2CCCC2c2csc(C)n2)s1
InChIInChI=1S/C16H21N3O2S2/c1-9-14(23-15(17-9)10(2)21-4)16(20)19-7-5-6-13(19)12-8-22-11(3)18-12/h8,10,13H,5-7H2,1-4H3
InChIKeyGVYYZNDNILGZMV-UHFFFAOYSA-N
XLogP3.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone (CID 127940351) is [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone is COC(C)c1nc(C)c(C(=O)N2CCCC2c2csc(C)n2)s1.
What is the InChIKey of [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GVYYZNDNILGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-9-14(23-15(17-9)10(2)21-4)16(20)19-7-5-6-13(19)12-8-22-11(3)18-12/h8,10,13H,5-7H2,1-4H3.
What are the key properties of [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 351.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127940351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).