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

C11H18N2OS — CID 106129708

IUPAC3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1csc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-3-2-4-10(14)5-9/h7,9-10,14H,2-6H2,1H3,(H,12,13)
InChIKeyIRAQXOYBGHVNEG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.41
Rot. Bonds3

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

3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106129708) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106129708
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1csc(NCC2CCCC(O)C2)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-3-2-4-10(14)5-9/h7,9-10,14H,2-6H2,1H3,(H,12,13)
InChIKeyIRAQXOYBGHVNEG-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 130834238
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269830
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671
3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
CID 106119943
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 130925805
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 106129708) is 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is Cc1csc(NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IRAQXOYBGHVNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)12-6-9-3-2-4-10(14)5-9/h7,9-10,14H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).