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

C14H18N2OS — CID 62091502

IUPAC5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)o1
InChIInChI=1S/C14H18N2OS/c1-8-4-5-11(17-8)13-16-10-7-14(2,3)6-9(15)12(10)18-13/h4-5,9H,6-7,15H2,1-3H3
InChIKeyRYGQFWMPKOEHHN-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.68
Rot. Bonds1

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

5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62091502) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62091502
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)o1
InChIInChI=1S/C14H18N2OS/c1-8-4-5-11(17-8)13-16-10-7-14(2,3)6-9(15)12(10)18-13/h4-5,9H,6-7,15H2,1-3H3
InChIKeyRYGQFWMPKOEHHN-UHFFFAOYSA-N
XLogP3.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091322
2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107111642
2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 105410182
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62493383
2-(2-methoxy-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106792900
2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62944736
2-(3-ethyl-2-pyridinyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 82741018
2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62749845
5,5-dimethyl-2-(3-nitrophenyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089380

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62091502) is 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is Cc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)o1.
What is the InChIKey of 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is RYGQFWMPKOEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8-4-5-11(17-8)13-16-10-7-14(2,3)6-9(15)12(10)18-13/h4-5,9H,6-7,15H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 262.38 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62091502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).