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

C15H24N4O2S — CID 71869895

IUPACN-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide
SMILESCCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-13(22-12)10-19-15(21)17-8-7-16-14(20)11-5-3-4-6-11/h9,11H,2-8,10H2,1H3,(H,16,20)(H2,17,19,21)
InChIKeyXLWWNQXVQBQKTM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.81
Rot. Bonds7

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

N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide (PubChem CID 71869895) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide
PubChem CID71869895
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide
SMILESCCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-12-9-18-13(22-12)10-19-15(21)17-8-7-16-14(20)11-5-3-4-6-11/h9,11H,2-8,10H2,1H3,(H,16,20)(H2,17,19,21)
InChIKeyXLWWNQXVQBQKTM-UHFFFAOYSA-N
XLogP1.81
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
CID 75426819
3-[2-(2-Methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447188
N-(5-ethyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 54245891
N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 58499066
4-Methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 58499291
N-(5-propan-2-yl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 153722201
N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanecarboxamide
CID 39855028
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 45884132
3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 71865658
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 71867670
1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867683

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide (CID 71869895) is N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide is CCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1.
What is the InChIKey of N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is XLWWNQXVQBQKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-12-9-18-13(22-12)10-19-15(21)17-8-7-16-14(20)11-5-3-4-6-11/h9,11H,2-8,10H2,1H3,(H,16,20)(H2,17,19,21).
What are the key properties of N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide?
N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 71869895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).