N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline

C17H18N2S — CID 90144970

IUPACN,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2sc(-c3ccc(N(C)C)c(C)c3)nc2c1
InChIInChI=1S/C17H18N2S/c1-11-5-8-16-14(9-11)18-17(20-16)13-6-7-15(19(3)4)12(2)10-13/h5-10H,1-4H3
InChIKeyQERSHLRCWJJZKN-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.65
Rot. Bonds2

About N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline

N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 90144970) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
PubChem CID90144970
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2sc(-c3ccc(N(C)C)c(C)c3)nc2c1
InChIInChI=1S/C17H18N2S/c1-11-5-8-16-14(9-11)18-17(20-16)13-6-7-15(19(3)4)12(2)10-13/h5-10H,1-4H3
InChIKeyQERSHLRCWJJZKN-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline (CID 90144970) is N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline is Cc1ccc2sc(-c3ccc(N(C)C)c(C)c3)nc2c1.
What is the InChIKey of N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is QERSHLRCWJJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-5-8-16-14(9-11)18-17(20-16)13-6-7-15(19(3)4)12(2)10-13/h5-10H,1-4H3.
What are the key properties of N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline?
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 282.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 90144970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).