1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide

C15H21N3O2S — CID 71976741

IUPAC1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C15H21N3O2S/c1-11(20-3)13-17-12(9-21-13)8-18(2)14(19)15(10-16)6-4-5-7-15/h9,11H,4-8H2,1-3H3
InChIKeyINAWOZIRZOTKJV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.89
Rot. Bonds5

About 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide

1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 71976741) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID71976741
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C15H21N3O2S/c1-11(20-3)13-17-12(9-21-13)8-18(2)14(19)15(10-16)6-4-5-7-15/h9,11H,4-8H2,1-3H3
InChIKeyINAWOZIRZOTKJV-UHFFFAOYSA-N
XLogP2.89
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide (CID 71976741) is 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide is COC(C)c1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1.
What is the InChIKey of 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is INAWOZIRZOTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(20-3)13-17-12(9-21-13)8-18(2)14(19)15(10-16)6-4-5-7-15/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide?
1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 71976741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).