(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine

C11H15N3S — CID 39197172

IUPAC(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCc1nc2sc3c(n2c1CN)CCCC3
InChIInChI=1S/C11H15N3S/c1-7-9(6-12)14-8-4-2-3-5-10(8)15-11(14)13-7/h2-6,12H2,1H3
InChIKeyFAISIJNDSFLGMZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.04
Rot. Bonds1

About (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine

(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (PubChem CID 39197172) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
PubChem CID39197172
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCc1nc2sc3c(n2c1CN)CCCC3
InChIInChI=1S/C11H15N3S/c1-7-9(6-12)14-8-4-2-3-5-10(8)15-11(14)13-7/h2-6,12H2,1H3
InChIKeyFAISIJNDSFLGMZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The IUPAC name of (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (CID 39197172) is (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.
What is the SMILES notation for (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The canonical SMILES for (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is Cc1nc2sc3c(n2c1CN)CCCC3.
What is the InChIKey of (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The InChIKey is FAISIJNDSFLGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7-9(6-12)14-8-4-2-3-5-10(8)15-11(14)13-7/h2-6,12H2,1H3.
What are the key properties of (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is sourced from PubChem (CID 39197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).