N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine

C14H24N2S — CID 79834756

IUPACN-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2c(s1)CCCC2(C)C
InChIInChI=1S/C14H24N2S/c1-13(2,3)15-9-11-16-12-10(17-11)7-6-8-14(12,4)5/h15H,6-9H2,1-5H3
InChIKeyRNOOJGGBINTNDK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.65
Rot. Bonds2

About N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79834756) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID79834756
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2c(s1)CCCC2(C)C
InChIInChI=1S/C14H24N2S/c1-13(2,3)15-9-11-16-12-10(17-11)7-6-8-14(12,4)5/h15H,6-9H2,1-5H3
InChIKeyRNOOJGGBINTNDK-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine (CID 79834756) is N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc2c(s1)CCCC2(C)C.
What is the InChIKey of N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RNOOJGGBINTNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)15-9-11-16-12-10(17-11)7-6-8-14(12,4)5/h15H,6-9H2,1-5H3.
What are the key properties of N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79834756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).