2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole

C12H15N3S — CID 170326044

IUPAC2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
SMILESCc1nc2ccc(CN3CCCN3)cc2s1
InChIInChI=1S/C12H15N3S/c1-9-14-11-4-3-10(7-12(11)16-9)8-15-6-2-5-13-15/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyGCTHHBPSCLYPQM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole

2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole (PubChem CID 170326044) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
PubChem CID170326044
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
SMILESCc1nc2ccc(CN3CCCN3)cc2s1
InChIInChI=1S/C12H15N3S/c1-9-14-11-4-3-10(7-12(11)16-9)8-15-6-2-5-13-15/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyGCTHHBPSCLYPQM-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
CID 120843286
2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrazolidine-1-carboxylic acid
CID 170326219
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120838011
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844631
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120844245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole (CID 170326044) is 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole is Cc1nc2ccc(CN3CCCN3)cc2s1.
What is the InChIKey of 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole?
The InChIKey is GCTHHBPSCLYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-14-11-4-3-10(7-12(11)16-9)8-15-6-2-5-13-15/h3-4,7,13H,2,5-6,8H2,1H3.
What are the key properties of 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole?
2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole has a molecular weight of 233.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 170326044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).