1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine

C14H16N4S — CID 117433998

IUPAC1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
SMILESCC(C)c1nc2ccc(-c3cc(N)n(C)n3)cc2s1
InChIInChI=1S/C14H16N4S/c1-8(2)14-16-10-5-4-9(6-12(10)19-14)11-7-13(15)18(3)17-11/h4-8H,15H2,1-3H3
InChIKeyJGCJJQSTJGBUMT-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.40
Rot. Bonds2

About 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine

1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine (PubChem CID 117433998) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
PubChem CID117433998
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
SMILESCC(C)c1nc2ccc(-c3cc(N)n(C)n3)cc2s1
InChIInChI=1S/C14H16N4S/c1-8(2)14-16-10-5-4-9(6-12(10)19-14)11-7-13(15)18(3)17-11/h4-8H,15H2,1-3H3
InChIKeyJGCJJQSTJGBUMT-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117465769
2-propan-2-yl-5-tritio-1,3-benzothiazole
CID 155790204
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117399668
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123961283
1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine
CID 117438981

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine (CID 117433998) is 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine is CC(C)c1nc2ccc(-c3cc(N)n(C)n3)cc2s1.
What is the InChIKey of 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine?
The InChIKey is JGCJJQSTJGBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8(2)14-16-10-5-4-9(6-12(10)19-14)11-7-13(15)18(3)17-11/h4-8H,15H2,1-3H3.
What are the key properties of 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine?
1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine has a molecular weight of 272.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine is sourced from PubChem (CID 117433998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).