trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol

C10H16N2OS — CID 102734625

IUPACtrans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
SMILESCN(Cc1cscn1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H16N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyCMWYXQAGRWCWGO-NXEZZACHSA-N
MW212.32 g/mol
LogP1.49
Rot. Bonds3

About trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol (PubChem CID 102734625) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
PubChem CID102734625
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Nametrans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
SMILESCN(Cc1cscn1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H16N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m1/s1
InChIKeyCMWYXQAGRWCWGO-NXEZZACHSA-N
XLogP1.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
CID 99106889
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
CID 62052814
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79849133
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 102636268
2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
CID 102631816
N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
CID 63176490
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol (CID 102734625) is trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol is CN(Cc1cscn1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol?
The InChIKey is CMWYXQAGRWCWGO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12(5-8-6-14-7-11-8)9-3-2-4-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).