N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine

C13H16N2S — CID 12741815

IUPACN-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc2nc(NCC3CC3)sc2cc1C
InChIInChI=1S/C13H16N2S/c1-8-5-11-12(6-9(8)2)16-13(15-11)14-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHDQDJCQGWHJSGL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.74
Rot. Bonds3

About N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine

N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 12741815) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
PubChem CID12741815
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc2nc(NCC3CC3)sc2cc1C
InChIInChI=1S/C13H16N2S/c1-8-5-11-12(6-9(8)2)16-13(15-11)14-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHDQDJCQGWHJSGL-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine (CID 12741815) is N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine is Cc1cc2nc(NCC3CC3)sc2cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is HDQDJCQGWHJSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-5-11-12(6-9(8)2)16-13(15-11)14-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine?
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 12741815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).