4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

C12H10ClN5OS — CID 65354962

IUPAC4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C12H10ClN5OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,14H2,1H3,(H,15,16,19)
InChIKeyDCQLGBXGDJBAMT-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.52
Rot. Bonds2

About 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354962) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65354962
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C12H10ClN5OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,14H2,1H3,(H,15,16,19)
InChIKeyDCQLGBXGDJBAMT-UHFFFAOYSA-N
XLogP2.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889853
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354474
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 65354962) is 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1.
What is the InChIKey of 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DCQLGBXGDJBAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,14H2,1H3,(H,15,16,19).
What are the key properties of 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 307.77 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).