2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide

C15H17N5OS — CID 117081271

IUPAC2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ccnn3C)sc2c1
InChIInChI=1S/C15H17N5OS/c1-3-7-16-14(21)10-4-5-11-12(9-10)22-15(18-11)19-13-6-8-17-20(13)2/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyXLBPUFKDOGCXQE-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds5

About 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide

2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide (PubChem CID 117081271) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
PubChem CID117081271
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(Nc3ccnn3C)sc2c1
InChIInChI=1S/C15H17N5OS/c1-3-7-16-14(21)10-4-5-11-12(9-10)22-15(18-11)19-13-6-8-17-20(13)2/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyXLBPUFKDOGCXQE-UHFFFAOYSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide (CID 117081271) is 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide is CCCNC(=O)c1ccc2nc(Nc3ccnn3C)sc2c1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is XLBPUFKDOGCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-3-7-16-14(21)10-4-5-11-12(9-10)22-15(18-11)19-13-6-8-17-20(13)2/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,18,19).
What are the key properties of 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117081271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).