4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine

C11H15N3OS — CID 134181096

IUPAC4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(CN(C)C)c2nc(N)sc2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)6-7-4-8(15-3)5-9-10(7)13-11(12)16-9/h4-5H,6H2,1-3H3,(H2,12,13)
InChIKeyNQRBQGXHQHTYAU-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.95
Rot. Bonds3

About 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine

4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 134181096) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID134181096
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(CN(C)C)c2nc(N)sc2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)6-7-4-8(15-3)5-9-10(7)13-11(12)16-9/h4-5H,6H2,1-3H3,(H2,12,13)
InChIKeyNQRBQGXHQHTYAU-UHFFFAOYSA-N
XLogP1.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 118371301
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
CID 88610213
4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole
CID 178049461
CID 158604119
CID 158604119
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
2-chloro-6-methoxy-1,3-benzothiazol-4-amine
CID 53412789
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821
4,5-bis(2-methoxyethyl)-1,3-benzothiazole-2,6-diamine
CID 146312895

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine (CID 134181096) is 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine is COc1cc(CN(C)C)c2nc(N)sc2c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is NQRBQGXHQHTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(2)6-7-4-8(15-3)5-9-10(7)13-11(12)16-9/h4-5H,6H2,1-3H3,(H2,12,13).
What are the key properties of 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine?
4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134181096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).