2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H22N4S — CID 83091961

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3cn(C)nc3C)sc21
InChIInChI=1S/C15H22N4S/c1-4-8-16-12-6-5-7-13-14(12)20-15(17-13)11-9-19(3)18-10(11)2/h9,12,16H,4-8H2,1-3H3
InChIKeyWGXIOBBSPYWSLB-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.23
Rot. Bonds4

About 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 83091961) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID83091961
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3cn(C)nc3C)sc21
InChIInChI=1S/C15H22N4S/c1-4-8-16-12-6-5-7-13-14(12)20-15(17-13)11-9-19(3)18-10(11)2/h9,12,16H,4-8H2,1-3H3
InChIKeyWGXIOBBSPYWSLB-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83091686
2-(6-methyl-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104823158
N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078950
2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62090771
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104961167
2-(2,6-dimethylmorpholin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62749698
2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727681
2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63625787
N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66134215

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 83091961) is 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(-c3cn(C)nc3C)sc21.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WGXIOBBSPYWSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-8-16-12-6-5-7-13-14(12)20-15(17-13)11-9-19(3)18-10(11)2/h9,12,16H,4-8H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 290.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 83091961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).