1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine

C14H24N2S — CID 79835885

IUPAC1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC1(C)CCCc2sc(C(N)C(C)(C)C)nc21
InChIInChI=1S/C14H24N2S/c1-13(2,3)10(15)12-16-11-9(17-12)7-6-8-14(11,4)5/h10H,6-8,15H2,1-5H3
InChIKeyCMLQPMBXQSBBPE-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.80
Rot. Bonds1

About 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine

1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 79835885) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID79835885
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC1(C)CCCc2sc(C(N)C(C)(C)C)nc21
InChIInChI=1S/C14H24N2S/c1-13(2,3)10(15)12-16-11-9(17-12)7-6-8-14(11,4)5/h10H,6-8,15H2,1-5H3
InChIKeyCMLQPMBXQSBBPE-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine (CID 79835885) is 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine is CC1(C)CCCc2sc(C(N)C(C)(C)C)nc21.
What is the InChIKey of 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is CMLQPMBXQSBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)10(15)12-16-11-9(17-12)7-6-8-14(11,4)5/h10H,6-8,15H2,1-5H3.
What are the key properties of 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine?
1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79835885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).