4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine

C14H18N6S — CID 66768278

IUPAC4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine
SMILESCN(C)CCNc1n[nH]c(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H18N6S/c1-20(2)8-7-16-13-11(12(15)18-19-13)14-17-9-5-3-4-6-10(9)21-14/h3-6H,7-8H2,1-2H3,(H4,15,16,18,19)
InChIKeyJTPCQNXOABMRFZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.24
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine

4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine (PubChem CID 66768278) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine
PubChem CID66768278
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine
SMILESCN(C)CCNc1n[nH]c(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H18N6S/c1-20(2)8-7-16-13-11(12(15)18-19-13)14-17-9-5-3-4-6-10(9)21-14/h3-6H,7-8H2,1-2H3,(H4,15,16,18,19)
InChIKeyJTPCQNXOABMRFZ-UHFFFAOYSA-N
XLogP2.24
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine (CID 66768278) is 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine is CN(C)CCNc1n[nH]c(N)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine?
The InChIKey is JTPCQNXOABMRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-20(2)8-7-16-13-11(12(15)18-19-13)14-17-9-5-3-4-6-10(9)21-14/h3-6H,7-8H2,1-2H3,(H4,15,16,18,19).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine?
4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine has a molecular weight of 302.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-3-N-[2-(dimethylamino)ethyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 66768278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).