2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C14H22N2OS — CID 62754174

IUPAC2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(c1nc2c(s1)C(O)CCC2)C1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-16(10-6-3-2-4-7-10)14-15-11-8-5-9-12(17)13(11)18-14/h10,12,17H,2-9H2,1H3
InChIKeyFZQQHEKYQAKXCM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.28
Rot. Bonds2

About 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62754174) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62754174
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(c1nc2c(s1)C(O)CCC2)C1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-16(10-6-3-2-4-7-10)14-15-11-8-5-9-12(17)13(11)18-14/h10,12,17H,2-9H2,1H3
InChIKeyFZQQHEKYQAKXCM-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62754174) is 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN(c1nc2c(s1)C(O)CCC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is FZQQHEKYQAKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(10-6-3-2-4-7-10)14-15-11-8-5-9-12(17)13(11)18-14/h10,12,17H,2-9H2,1H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 266.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62754174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).