N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine

C11H18N2S — CID 18759118

IUPACN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(C2CCCC2)n1
InChIInChI=1S/C11H18N2S/c1-2-12-7-10-8-14-11(13-10)9-5-3-4-6-9/h8-9,12H,2-7H2,1H3
InChIKeyRRVUHYNTNLCVLW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 18759118) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID18759118
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(C2CCCC2)n1
InChIInChI=1S/C11H18N2S/c1-2-12-7-10-8-14-11(13-10)9-5-3-4-6-9/h8-9,12H,2-7H2,1H3
InChIKeyRRVUHYNTNLCVLW-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 18759118) is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1csc(C2CCCC2)n1.
What is the InChIKey of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is RRVUHYNTNLCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-12-7-10-8-14-11(13-10)9-5-3-4-6-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 18759118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).