2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C16H24N2OS — CID 62756729

IUPAC2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN(c1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-16(2)9-12-14(13(19)10-16)20-15(17-12)18(3)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyBEEIYGNFQGDFAQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.07
Rot. Bonds2

About 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62756729) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62756729
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN(c1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-16(2)9-12-14(13(19)10-16)20-15(17-12)18(3)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyBEEIYGNFQGDFAQ-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 62756729) is 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CN(c1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is BEEIYGNFQGDFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2)9-12-14(13(19)10-16)20-15(17-12)18(3)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 292.45 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62756729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).