1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C17H19N5O2S — CID 59001206

IUPAC1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)c(C(N)=O)nn3C(C)(C)C)cc1
InChIInChI=1S/C17H19N5O2S/c1-9-5-7-10(8-6-9)15(24)20-16-19-14-12(25-16)11(13(18)23)21-22(14)17(2,3)4/h5-8H,1-4H3,(H2,18,23)(H,19,20,24)
InChIKeyMPMHAUUXXJLZEM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.91
Rot. Bonds3

About 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 59001206) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID59001206
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)c(C(N)=O)nn3C(C)(C)C)cc1
InChIInChI=1S/C17H19N5O2S/c1-9-5-7-10(8-6-9)15(24)20-16-19-14-12(25-16)11(13(18)23)21-22(14)17(2,3)4/h5-8H,1-4H3,(H2,18,23)(H,19,20,24)
InChIKeyMPMHAUUXXJLZEM-UHFFFAOYSA-N
XLogP2.91
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 59001206) is 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is Cc1ccc(C(=O)Nc2nc3c(s2)c(C(N)=O)nn3C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is MPMHAUUXXJLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-9-5-7-10(8-6-9)15(24)20-16-19-14-12(25-16)11(13(18)23)21-22(14)17(2,3)4/h5-8H,1-4H3,(H2,18,23)(H,19,20,24).
What are the key properties of 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 59001206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).