5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

C16H20N6S — CID 133493120

IUPAC5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3nc4ccccc4s3)CC2)c1N
InChIInChI=1S/C16H20N6S/c1-11-14(17)15(20(2)19-11)21-7-9-22(10-8-21)16-18-12-5-3-4-6-13(12)23-16/h3-6H,7-10,17H2,1-2H3
InChIKeyIVAXJFQWVCTLAS-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.25
Rot. Bonds2

About 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (PubChem CID 133493120) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
PubChem CID133493120
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3nc4ccccc4s3)CC2)c1N
InChIInChI=1S/C16H20N6S/c1-11-14(17)15(20(2)19-11)21-7-9-22(10-8-21)16-18-12-5-3-4-6-13(12)23-16/h3-6H,7-10,17H2,1-2H3
InChIKeyIVAXJFQWVCTLAS-UHFFFAOYSA-N
XLogP2.25
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 163344643
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70730594
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
CID 7110142
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171996888
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155942124
[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
CID 45222357
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
CID 70422837
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155976467
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (CID 133493120) is 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCN(c3nc4ccccc4s3)CC2)c1N.
What is the InChIKey of 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is IVAXJFQWVCTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-11-14(17)15(20(2)19-11)21-7-9-22(10-8-21)16-18-12-5-3-4-6-13(12)23-16/h3-6H,7-10,17H2,1-2H3.
What are the key properties of 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 328.44 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 133493120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).