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

C15H20N2OS2 — CID 111974624

IUPAC1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cnc(-c3ccsc3)s2)CCCCC1
InChIInChI=1S/C15H20N2OS2/c18-15(5-2-1-3-6-15)11-16-8-13-9-17-14(20-13)12-4-7-19-10-12/h4,7,9-10,16,18H,1-3,5-6,8,11H2
InChIKeyIXXKLQRKYHPZMM-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.66
Rot. Bonds5

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

1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111974624) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111974624
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cnc(-c3ccsc3)s2)CCCCC1
InChIInChI=1S/C15H20N2OS2/c18-15(5-2-1-3-6-15)11-16-8-13-9-17-14(20-13)12-4-7-19-10-12/h4,7,9-10,16,18H,1-3,5-6,8,11H2
InChIKeyIXXKLQRKYHPZMM-UHFFFAOYSA-N
XLogP3.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 111974624) is 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2cnc(-c3ccsc3)s2)CCCCC1.
What is the InChIKey of 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IXXKLQRKYHPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c18-15(5-2-1-3-6-15)11-16-8-13-9-17-14(20-13)12-4-7-19-10-12/h4,7,9-10,16,18H,1-3,5-6,8,11H2.
What are the key properties of 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 308.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).