N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide

C17H27N3O3S — CID 3310913

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)C1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-12-13(2)24-17(18-12)19-15(21)11-20(9-6-10-23-3)16(22)14-7-4-5-8-14/h14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeyVGTNVHUNOWGZNY-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.75
Rot. Bonds8

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide (PubChem CID 3310913) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
PubChem CID3310913
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)C1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-12-13(2)24-17(18-12)19-15(21)11-20(9-6-10-23-3)16(22)14-7-4-5-8-14/h14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeyVGTNVHUNOWGZNY-UHFFFAOYSA-N
XLogP2.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide (CID 3310913) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide is COCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide?
The InChIKey is VGTNVHUNOWGZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-13(2)24-17(18-12)19-15(21)11-20(9-6-10-23-3)16(22)14-7-4-5-8-14/h14H,4-11H2,1-3H3,(H,18,19,21).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide is sourced from PubChem (CID 3310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).