1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C12H20N2OS — CID 61281420

IUPAC1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-13-9-12(15)5-3-2-4-6-12/h8,13,15H,2-7,9H2,1H3
InChIKeyIRDMNZMHTQCIDF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.24
Rot. Bonds4

About 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 61281420) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID61281420
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-13-9-12(15)5-3-2-4-6-12/h8,13,15H,2-7,9H2,1H3
InChIKeyIRDMNZMHTQCIDF-UHFFFAOYSA-N
XLogP2.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 61281420) is 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ncc(CNCC2(O)CCCCC2)s1.
What is the InChIKey of 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IRDMNZMHTQCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-13-9-12(15)5-3-2-4-6-12/h8,13,15H,2-7,9H2,1H3.
What are the key properties of 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 61281420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).