4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H15N5OS — CID 107802510

IUPAC4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C14H15N5OS/c1-3-9-12(15)13(19(2)18-9)14(20)17-8-4-5-10-11(6-8)21-7-16-10/h4-7H,3,15H2,1-2H3,(H,17,20)
InChIKeyBSBQIOLYOQAJSJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.43
Rot. Bonds3

About 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 107802510) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID107802510
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C14H15N5OS/c1-3-9-12(15)13(19(2)18-9)14(20)17-8-4-5-10-11(6-8)21-7-16-10/h4-7H,3,15H2,1-2H3,(H,17,20)
InChIKeyBSBQIOLYOQAJSJ-UHFFFAOYSA-N
XLogP2.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 107802510) is 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2ccc3ncsc3c2)c1N.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is BSBQIOLYOQAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-9-12(15)13(19(2)18-9)14(20)17-8-4-5-10-11(6-8)21-7-16-10/h4-7H,3,15H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107802510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).