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

C13H18N4S — CID 62091832

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3cnn(C)c3)sc21
InChIInChI=1S/C13H18N4S/c1-3-14-10-5-4-6-11-12(10)18-13(16-11)9-7-15-17(2)8-9/h7-8,10,14H,3-6H2,1-2H3
InChIKeyUAZLOCPIDOEGIH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.53
Rot. Bonds3

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

N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62091832) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62091832
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3cnn(C)c3)sc21
InChIInChI=1S/C13H18N4S/c1-3-14-10-5-4-6-11-12(10)18-13(16-11)9-7-15-17(2)8-9/h7-8,10,14H,3-6H2,1-2H3
InChIKeyUAZLOCPIDOEGIH-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62091832) is N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3cnn(C)c3)sc21.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UAZLOCPIDOEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-10-5-4-6-11-12(10)18-13(16-11)9-7-15-17(2)8-9/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 262.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62091832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).