4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H22N2OS — CID 114147837

IUPAC4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1nc(CNCC2CCC(O)CC2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h9-10,12,14,16H,2-8H2,1H3
InChIKeyMEOITULYPRCNJG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.35
Rot. Bonds5

About 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 114147837) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID114147837
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1nc(CNCC2CCC(O)CC2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h9-10,12,14,16H,2-8H2,1H3
InChIKeyMEOITULYPRCNJG-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103653186
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 95321562
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66006508
4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125249
4-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclohexan-1-ol
CID 106133296
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 114147837) is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CCc1nc(CNCC2CCC(O)CC2)cs1.
What is the InChIKey of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MEOITULYPRCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h9-10,12,14,16H,2-8H2,1H3.
What are the key properties of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114147837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).