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

C13H14N4S — CID 117399664

IUPAC4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
SMILESCCc1nc2ccc(-c3cnn(C)c3N)cc2s1
InChIInChI=1S/C13H14N4S/c1-3-12-16-10-5-4-8(6-11(10)18-12)9-7-15-17(2)13(9)14/h4-7H,3,14H2,1-2H3
InChIKeyYPVVAYZMRAQKIX-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.84
Rot. Bonds2

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

4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117399664) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
PubChem CID117399664
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
SMILESCCc1nc2ccc(-c3cnn(C)c3N)cc2s1
InChIInChI=1S/C13H14N4S/c1-3-12-16-10-5-4-8(6-11(10)18-12)9-7-15-17(2)13(9)14/h4-7H,3,14H2,1-2H3
InChIKeyYPVVAYZMRAQKIX-UHFFFAOYSA-N
XLogP2.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
CID 117397140
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
azane;2-ethyl-1,3-benzothiazole-6-sulfonic acid
CID 174889953
4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
CID 117305388
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
CID 142320199
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine (CID 117399664) is 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine is CCc1nc2ccc(-c3cnn(C)c3N)cc2s1.
What is the InChIKey of 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is YPVVAYZMRAQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-3-12-16-10-5-4-8(6-11(10)18-12)9-7-15-17(2)13(9)14/h4-7H,3,14H2,1-2H3.
What are the key properties of 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine?
4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 258.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117399664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).