2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C17H22N2OS — CID 62090255

IUPAC2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccc(OC)cc3)sc21
InChIInChI=1S/C17H22N2OS/c1-17(2)9-13(18-3)15-14(10-17)19-16(21-15)11-5-7-12(20-4)8-6-11/h5-8,13,18H,9-10H2,1-4H3
InChIKeyBHCKZZXQDJZONP-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62090255) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62090255
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccc(OC)cc3)sc21
InChIInChI=1S/C17H22N2OS/c1-17(2)9-13(18-3)15-14(10-17)19-16(21-15)11-5-7-12(20-4)8-6-11/h5-8,13,18H,9-10H2,1-4H3
InChIKeyBHCKZZXQDJZONP-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62090255) is 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(-c3ccc(OC)cc3)sc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is BHCKZZXQDJZONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2)9-13(18-3)15-14(10-17)19-16(21-15)11-5-7-12(20-4)8-6-11/h5-8,13,18H,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 302.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62090255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).