4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

C12H11N5OS — CID 65355063

IUPAC4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H11N5OS/c1-17-6-7(13)10(16-17)11(18)15-12-14-8-4-2-3-5-9(8)19-12/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyGRDVAMKTLBUXQE-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.86
Rot. Bonds2

About 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355063) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65355063
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H11N5OS/c1-17-6-7(13)10(16-17)11(18)15-12-14-8-4-2-3-5-9(8)19-12/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyGRDVAMKTLBUXQE-UHFFFAOYSA-N
XLogP1.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354474
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 65355063) is 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2nc3ccccc3s2)n1.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GRDVAMKTLBUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-17-6-7(13)10(16-17)11(18)15-12-14-8-4-2-3-5-9(8)19-12/h2-6H,13H2,1H3,(H,14,15,18).
What are the key properties of 4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.86, 2 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-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).