2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol

C15H26N2OS — CID 62014837

IUPAC2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCCc1nc(CN(CCO)C2CCCCC2)cs1
InChIInChI=1S/C15H26N2OS/c1-2-6-15-16-13(12-19-15)11-17(9-10-18)14-7-4-3-5-8-14/h12,14,18H,2-11H2,1H3
InChIKeyBIBJKHTUCMWXIT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.22
Rot. Bonds7

About 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol

2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol (PubChem CID 62014837) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
PubChem CID62014837
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCCc1nc(CN(CCO)C2CCCCC2)cs1
InChIInChI=1S/C15H26N2OS/c1-2-6-15-16-13(12-19-15)11-17(9-10-18)14-7-4-3-5-8-14/h12,14,18H,2-11H2,1H3
InChIKeyBIBJKHTUCMWXIT-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol (CID 62014837) is 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol is CCCc1nc(CN(CCO)C2CCCCC2)cs1.
What is the InChIKey of 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The InChIKey is BIBJKHTUCMWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-2-6-15-16-13(12-19-15)11-17(9-10-18)14-7-4-3-5-8-14/h12,14,18H,2-11H2,1H3.
What are the key properties of 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol has a molecular weight of 282.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 62014837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).