3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol

C11H18N2OS — CID 71859868

IUPAC3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol
SMILESOCCCNC1(c2nccs2)CCCC1
InChIInChI=1S/C11H18N2OS/c14-8-3-6-13-11(4-1-2-5-11)10-12-7-9-15-10/h7,9,13-14H,1-6,8H2
InChIKeyMCOCMHCJMLFCJB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.88
Rot. Bonds5

About 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol

3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol (PubChem CID 71859868) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol
PubChem CID71859868
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol
SMILESOCCCNC1(c2nccs2)CCCC1
InChIInChI=1S/C11H18N2OS/c14-8-3-6-13-11(4-1-2-5-11)10-12-7-9-15-10/h7,9,13-14H,1-6,8H2
InChIKeyMCOCMHCJMLFCJB-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.88
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 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol (CID 71859868) is 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol is OCCCNC1(c2nccs2)CCCC1.
What is the InChIKey of 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol?
The InChIKey is MCOCMHCJMLFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-8-3-6-13-11(4-1-2-5-11)10-12-7-9-15-10/h7,9,13-14H,1-6,8H2.
What are the key properties of 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol?
3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-ol is sourced from PubChem (CID 71859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).