5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one

C15H19N3OS2 — CID 62750634

IUPAC5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1nc(CN(C)c2nc3c(s2)C(=O)CC(C)(C)C3)cs1
InChIInChI=1S/C15H19N3OS2/c1-9-16-10(8-20-9)7-18(4)14-17-11-5-15(2,3)6-12(19)13(11)21-14/h8H,5-7H2,1-4H3
InChIKeyAVDAUECDDJRGED-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.70
Rot. Bonds3

About 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one

5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62750634) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62750634
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCc1nc(CN(C)c2nc3c(s2)C(=O)CC(C)(C)C3)cs1
InChIInChI=1S/C15H19N3OS2/c1-9-16-10(8-20-9)7-18(4)14-17-11-5-15(2,3)6-12(19)13(11)21-14/h8H,5-7H2,1-4H3
InChIKeyAVDAUECDDJRGED-UHFFFAOYSA-N
XLogP3.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one with MolForge

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Related Compounds

5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
CID 62755996
1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 55113615
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62750633
2-ethyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090244
6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
CID 106039210
2-[(1,1-dioxothiolan-3-yl)-methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750791
2-[2-methoxyethyl(2-methylpropyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750122
2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750640
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 13387728
5,5-dimethyl-2-thiophen-2-yl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032657
2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032707

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one (CID 62750634) is 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one is Cc1nc(CN(C)c2nc3c(s2)C(=O)CC(C)(C)C3)cs1.
What is the InChIKey of 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is AVDAUECDDJRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-9-16-10(8-20-9)7-18(4)14-17-11-5-15(2,3)6-12(19)13(11)21-14/h8H,5-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one?
5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 321.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62750634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).