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

C13H18N4S — CID 83091686

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cn(C)nc3C)sc21
InChIInChI=1S/C13H18N4S/c1-8-9(7-17(3)16-8)13-15-11-6-4-5-10(14-2)12(11)18-13/h7,10,14H,4-6H2,1-3H3
InChIKeyUQXDPOPXSMXBMS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.45
Rot. Bonds2

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

2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 83091686) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID83091686
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cn(C)nc3C)sc21
InChIInChI=1S/C13H18N4S/c1-8-9(7-17(3)16-8)13-15-11-6-4-5-10(14-2)12(11)18-13/h7,10,14H,4-6H2,1-3H3
InChIKeyUQXDPOPXSMXBMS-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83091961
N-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66117235
2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66159303
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
N-methyl-2-(2-nitrophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079703
N-methyl-2-(1-propylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 103572807
N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079681
2-(4-tert-butylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078597
N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079694
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078435
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62386843

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 83091686) is 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(-c3cn(C)nc3C)sc21.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UQXDPOPXSMXBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-9(7-17(3)16-8)13-15-11-6-4-5-10(14-2)12(11)18-13/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1,3-dimethylpyrazol-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 262.38 g/mol, XLogP of 2.45, 2 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-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 83091686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).