1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide

C20H19N5OS — CID 16844512

IUPAC1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)nc1
InChIInChI=1S/C20H19N5OS/c1-12(2)16-10-15(19(26)23-18-9-8-13(3)11-21-18)24-25(16)20-22-14-6-4-5-7-17(14)27-20/h4-12H,1-3H3,(H,21,23,26)
InChIKeyFZMMQTPYEGRJFQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.56
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 16844512) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID16844512
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)nc1
InChIInChI=1S/C20H19N5OS/c1-12(2)16-10-15(19(26)23-18-9-8-13(3)11-21-18)24-25(16)20-22-14-6-4-5-7-17(14)27-20/h4-12H,1-3H3,(H,21,23,26)
InChIKeyFZMMQTPYEGRJFQ-UHFFFAOYSA-N
XLogP4.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide (CID 16844512) is 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)nc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FZMMQTPYEGRJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-12(2)16-10-15(19(26)23-18-9-8-13(3)11-21-18)24-25(16)20-22-14-6-4-5-7-17(14)27-20/h4-12H,1-3H3,(H,21,23,26).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 16844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).