N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide

C16H25N3OS — CID 75426819

IUPACN-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNCc1cnc(C2CCC2)s1)C1CCCC1
InChIInChI=1S/C16H25N3OS/c20-15(12-4-1-2-5-12)18-9-8-17-10-14-11-19-16(21-14)13-6-3-7-13/h11-13,17H,1-10H2,(H,18,20)
InChIKeyGFLCMSIEZSCVHH-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.81
Rot. Bonds7

About N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide

N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide (PubChem CID 75426819) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
PubChem CID75426819
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNCc1cnc(C2CCC2)s1)C1CCCC1
InChIInChI=1S/C16H25N3OS/c20-15(12-4-1-2-5-12)18-9-8-17-10-14-11-19-16(21-14)13-6-3-7-13/h11-13,17H,1-10H2,(H,18,20)
InChIKeyGFLCMSIEZSCVHH-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide (CID 75426819) is N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide is O=C(NCCNCc1cnc(C2CCC2)s1)C1CCCC1.
What is the InChIKey of N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is GFLCMSIEZSCVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-15(12-4-1-2-5-12)18-9-8-17-10-14-11-19-16(21-14)13-6-3-7-13/h11-13,17H,1-10H2,(H,18,20).
What are the key properties of N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide?
N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 75426819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).