1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine

C10H12N2S — CID 173153815

IUPAC1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc2scnc12
InChIInChI=1S/C10H12N2S/c1-12(2)6-8-4-3-5-9-10(8)11-7-13-9/h3-5,7H,6H2,1-2H3
InChIKeyVIEMQCDVZPNRDE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.36
Rot. Bonds2

About 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine

1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 173153815) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine
PubChem CID173153815
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc2scnc12
InChIInChI=1S/C10H12N2S/c1-12(2)6-8-4-3-5-9-10(8)11-7-13-9/h3-5,7H,6H2,1-2H3
InChIKeyVIEMQCDVZPNRDE-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-4-ylmethanol
CID 84652179
4-(2-chloroethyl)-1,3-benzothiazole
CID 174440026
4-(bromomethyl)-1,3-benzothiazole;4-methyl-1,3-benzothiazole
CID 159796626
4-(diethoxyphosphorylmethyl)-1,3-benzothiazole
CID 171779196
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
4-hexoxy-1,3-benzothiazole
CID 54068927
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
3-[(dimethylamino)methyl]-2-iodophenol
CID 135394008
[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
CID 174795026
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
butyl 2-[[2-(1,3-benzothiazol-4-yl)acetyl]amino]butanoate
CID 70131911
CID 131664049
CID 131664049

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine (CID 173153815) is 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine is CN(C)Cc1cccc2scnc12.
What is the InChIKey of 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is VIEMQCDVZPNRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12(2)6-8-4-3-5-9-10(8)11-7-13-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine?
1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 192.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 173153815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).