[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol

C16H26N2OS — CID 71915730

IUPAC[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol
SMILESCCc1nc2c(s1)C(NC1CCC(CO)CC1)CCC2
InChIInChI=1S/C16H26N2OS/c1-2-15-18-14-5-3-4-13(16(14)20-15)17-12-8-6-11(10-19)7-9-12/h11-13,17,19H,2-10H2,1H3
InChIKeyHEUBKDMFMFQCHJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.22
Rot. Bonds4

About [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol

[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol (PubChem CID 71915730) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol
PubChem CID71915730
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol
SMILESCCc1nc2c(s1)C(NC1CCC(CO)CC1)CCC2
InChIInChI=1S/C16H26N2OS/c1-2-15-18-14-5-3-4-13(16(14)20-15)17-12-8-6-11(10-19)7-9-12/h11-13,17,19H,2-10H2,1H3
InChIKeyHEUBKDMFMFQCHJ-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol?
The IUPAC name of [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol (CID 71915730) is [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol is CCc1nc2c(s1)C(NC1CCC(CO)CC1)CCC2.
What is the InChIKey of [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol?
The InChIKey is HEUBKDMFMFQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-15-18-14-5-3-4-13(16(14)20-15)17-12-8-6-11(10-19)7-9-12/h11-13,17,19H,2-10H2,1H3.
What are the key properties of [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol?
[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol has a molecular weight of 294.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 71915730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).