N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine

C12H16N2S — CID 158602970

IUPACN,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine
SMILESCc1nc2c(C)cc(N(C)C)c(C)c2s1
InChIInChI=1S/C12H16N2S/c1-7-6-10(14(4)5)8(2)12-11(7)13-9(3)15-12/h6H,1-5H3
InChIKeyKRSCXQMJSRBPJP-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds1

About N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine

N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine (PubChem CID 158602970) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine
PubChem CID158602970
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine
SMILESCc1nc2c(C)cc(N(C)C)c(C)c2s1
InChIInChI=1S/C12H16N2S/c1-7-6-10(14(4)5)8(2)12-11(7)13-9(3)15-12/h6H,1-5H3
InChIKeyKRSCXQMJSRBPJP-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine?
The IUPAC name of N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine (CID 158602970) is N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine is Cc1nc2c(C)cc(N(C)C)c(C)c2s1.
What is the InChIKey of N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine?
The InChIKey is KRSCXQMJSRBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7-6-10(14(4)5)8(2)12-11(7)13-9(3)15-12/h6H,1-5H3.
What are the key properties of N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine?
N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine has a molecular weight of 220.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4,7-pentamethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 158602970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).