1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

C12H20N2OS — CID 65168507

IUPAC1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NCC2(O)CCCCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-11(14-9)13-8-12(15)6-4-3-5-7-12/h15H,3-8H2,1-2H3,(H,13,14)
InChIKeyUGPWYWFOPIMYQW-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.87
Rot. Bonds3

About 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65168507) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65168507
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc(NCC2(O)CCCCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-11(14-9)13-8-12(15)6-4-3-5-7-12/h15H,3-8H2,1-2H3,(H,13,14)
InChIKeyUGPWYWFOPIMYQW-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 65168507) is 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is Cc1nc(NCC2(O)CCCCC2)sc1C.
What is the InChIKey of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UGPWYWFOPIMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-10(2)16-11(14-9)13-8-12(15)6-4-3-5-7-12/h15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65168507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).