[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol

C14H24N2OS — CID 113293581

IUPAC[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
SMILESCc1nc(C(C)NCC2(CO)CCCC2)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10(13-11(2)18-12(3)16-13)15-8-14(9-17)6-4-5-7-14/h10,15,17H,4-9H2,1-3H3
InChIKeyXRSAPPFEDKTWLT-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.96
Rot. Bonds5

About [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol

[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 113293581) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID113293581
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
SMILESCc1nc(C(C)NCC2(CO)CCCC2)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10(13-11(2)18-12(3)16-13)15-8-14(9-17)6-4-5-7-14/h10,15,17H,4-9H2,1-3H3
InChIKeyXRSAPPFEDKTWLT-UHFFFAOYSA-N
XLogP2.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
[1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 102612886
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
(2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-methylbutan-1-ol
CID 79254185
5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136965510
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
[1-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697676

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol (CID 113293581) is [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol is Cc1nc(C(C)NCC2(CO)CCCC2)c(C)s1.
What is the InChIKey of [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is XRSAPPFEDKTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(13-11(2)18-12(3)16-13)15-8-14(9-17)6-4-5-7-14/h10,15,17H,4-9H2,1-3H3.
What are the key properties of [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 113293581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).