1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol

C12H20N2OS — CID 65108787

IUPAC1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCc1ncsc1CCNCC1(O)CCCC1
InChIInChI=1S/C12H20N2OS/c1-10-11(16-9-14-10)4-7-13-8-12(15)5-2-3-6-12/h9,13,15H,2-8H2,1H3
InChIKeyBOJGBSPOXITLPP-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.89
Rot. Bonds5

About 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65108787) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65108787
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCc1ncsc1CCNCC1(O)CCCC1
InChIInChI=1S/C12H20N2OS/c1-10-11(16-9-14-10)4-7-13-8-12(15)5-2-3-6-12/h9,13,15H,2-8H2,1H3
InChIKeyBOJGBSPOXITLPP-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.89
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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Related Compounds

3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
CID 106100749
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
CID 116643984
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 107424127
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 62070485
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531811

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol (CID 65108787) is 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol is Cc1ncsc1CCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is BOJGBSPOXITLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-11(16-9-14-10)4-7-13-8-12(15)5-2-3-6-12/h9,13,15H,2-8H2,1H3.
What are the key properties of 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).