N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

C12H15N3S — CID 12873977

IUPACN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCC(C)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C12H15N3S/c1-8(2)14-9-3-4-11-10(7-9)15-6-5-13-12(15)16-11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUTZHOURFOMGJGC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.79
Rot. Bonds2

About N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 12873977) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID12873977
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCC(C)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C12H15N3S/c1-8(2)14-9-3-4-11-10(7-9)15-6-5-13-12(15)16-11/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUTZHOURFOMGJGC-UHFFFAOYSA-N
XLogP2.79
TPSA27.63 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
CID 5754122
1-(3-Methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
CID 1870934
1,2-Dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea
CID 4275892
2-(2-imino-1,3-benzothiazol-3-yl)-N,N-dimethylethanamine
CID 44328278
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
CID 11608069
(2Z)-N,3-Dimethyl-1,3-benzothiazol-2(3H)-imine
CID 12955118
(2S)-2-methyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
CID 58581889
(S)-2-(tert-Butyl)-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole
CID 134857510
2,3-dihydro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b]benzothiazol-6-amine
CID 12873978
2,3-Dihydro-6-nitroimidazo(2,1-b)benzothiazole
CID 12891964
3,4-dihydro-2H-pyrimido(2,1-b)benzothiazol-7-amine
CID 13338584

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (CID 12873977) is N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is CC(C)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is UTZHOURFOMGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(2)14-9-3-4-11-10(7-9)15-6-5-13-12(15)16-11/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 233.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 12873977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).