5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C17H28N2OS — CID 62754539

IUPAC5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CCCCC1N(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C17H28N2OS/c1-11-7-5-6-8-13(11)19(4)16-18-12-9-17(2,3)10-14(20)15(12)21-16/h11,13-14,20H,5-10H2,1-4H3
InChIKeyRYPPCIAKMWDJQQ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.16
Rot. Bonds2

About 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62754539) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62754539
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CCCCC1N(C)c1nc2c(s1)C(O)CC(C)(C)C2
InChIInChI=1S/C17H28N2OS/c1-11-7-5-6-8-13(11)19(4)16-18-12-9-17(2,3)10-14(20)15(12)21-16/h11,13-14,20H,5-10H2,1-4H3
InChIKeyRYPPCIAKMWDJQQ-UHFFFAOYSA-N
XLogP4.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62754539) is 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1CCCCC1N(C)c1nc2c(s1)C(O)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is RYPPCIAKMWDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-11-7-5-6-8-13(11)19(4)16-18-12-9-17(2,3)10-14(20)15(12)21-16/h11,13-14,20H,5-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 308.49 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62754539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).