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

C14H24N2S2 — CID 65141538

IUPAC2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC(C)SCc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C14H24N2S2/c1-5-9(2)17-8-12-16-11-7-14(3,4)6-10(15)13(11)18-12/h9-10H,5-8,15H2,1-4H3
InChIKeyWJRPMUMBYNMQAN-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.15
Rot. Bonds4

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

2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 65141538) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID65141538
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC(C)SCc1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C14H24N2S2/c1-5-9(2)17-8-12-16-11-7-14(3,4)6-10(15)13(11)18-12/h9-10H,5-8,15H2,1-4H3
InChIKeyWJRPMUMBYNMQAN-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 65141538) is 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC(C)SCc1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is WJRPMUMBYNMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-5-9(2)17-8-12-16-11-7-14(3,4)6-10(15)13(11)18-12/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 284.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65141538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).