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

C14H21N3S — CID 39197160

IUPAC(2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCC(C)(C)c1nc2sc3c(n2c1CN)CCCC3
InChIInChI=1S/C14H21N3S/c1-14(2,3)12-10(8-15)17-9-6-4-5-7-11(9)18-13(17)16-12/h4-8,15H2,1-3H3
InChIKeyXIIPGIAESXQHTB-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.03
Rot. Bonds1

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

(2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (PubChem CID 39197160) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
PubChem CID39197160
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name(2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCC(C)(C)c1nc2sc3c(n2c1CN)CCCC3
InChIInChI=1S/C14H21N3S/c1-14(2,3)12-10(8-15)17-9-6-4-5-7-11(9)18-13(17)16-12/h4-8,15H2,1-3H3
InChIKeyXIIPGIAESXQHTB-UHFFFAOYSA-N
XLogP3.03
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The IUPAC name of (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (CID 39197160) is (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The canonical SMILES for (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is CC(C)(C)c1nc2sc3c(n2c1CN)CCCC3.
What is the InChIKey of (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The InChIKey is XIIPGIAESXQHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-14(2,3)12-10(8-15)17-9-6-4-5-7-11(9)18-13(17)16-12/h4-8,15H2,1-3H3.
What are the key properties of (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
(2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is sourced from PubChem (CID 39197160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).