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

C16H26N2OS — CID 62751474

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC(N(C)c1nc2c(s1)C(=O)CC(C)(C)C2)C(C)(C)C
InChIInChI=1S/C16H26N2OS/c1-10(15(2,3)4)18(7)14-17-11-8-16(5,6)9-12(19)13(11)20-14/h10H,8-9H2,1-7H3
InChIKeyHSMFUBHWAIYLHS-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.17
Rot. Bonds2

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

2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62751474) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62751474
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC(N(C)c1nc2c(s1)C(=O)CC(C)(C)C2)C(C)(C)C
InChIInChI=1S/C16H26N2OS/c1-10(15(2,3)4)18(7)14-17-11-8-16(5,6)9-12(19)13(11)20-14/h10H,8-9H2,1-7H3
InChIKeyHSMFUBHWAIYLHS-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 62751474) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CC(N(C)c1nc2c(s1)C(=O)CC(C)(C)C2)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is HSMFUBHWAIYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10(15(2,3)4)18(7)14-17-11-8-16(5,6)9-12(19)13(11)20-14/h10H,8-9H2,1-7H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 294.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62751474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).