N,N,2-trimethyl-1,3-benzothiazol-6-amine

C10H12N2S — CID 787095

IUPACN,N,2-trimethyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(N(C)C)cc2s1
InChIInChI=1S/C10H12N2S/c1-7-11-9-5-4-8(12(2)3)6-10(9)13-7/h4-6H,1-3H3
InChIKeyXYORHVBAYQHCHM-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.67
Rot. Bonds1

About N,N,2-trimethyl-1,3-benzothiazol-6-amine

N,N,2-trimethyl-1,3-benzothiazol-6-amine (PubChem CID 787095) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N,N,2-trimethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1,3-benzothiazol-6-amine
PubChem CID787095
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN,N,2-trimethyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(N(C)C)cc2s1
InChIInChI=1S/C10H12N2S/c1-7-11-9-5-4-8(12(2)3)6-10(9)13-7/h4-6H,1-3H3
InChIKeyXYORHVBAYQHCHM-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.67
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-1,3-benzothiazol-6-amine?
The IUPAC name of N,N,2-trimethyl-1,3-benzothiazol-6-amine (CID 787095) is N,N,2-trimethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N,N,2-trimethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N,N,2-trimethyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(N(C)C)cc2s1.
What is the InChIKey of N,N,2-trimethyl-1,3-benzothiazol-6-amine?
The InChIKey is XYORHVBAYQHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-11-9-5-4-8(12(2)3)6-10(9)13-7/h4-6H,1-3H3.
What are the key properties of N,N,2-trimethyl-1,3-benzothiazol-6-amine?
N,N,2-trimethyl-1,3-benzothiazol-6-amine has a molecular weight of 192.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).