5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C19H23N5O3S — CID 59001482

IUPAC5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C19H23N5O3S/c1-11(10-25)20-17(27)13-14-15(24(23-13)19(2,3)4)21-18(28-14)22-16(26)12-8-6-5-7-9-12/h5-9,11,25H,10H2,1-4H3,(H,20,27)(H,21,22,26)/t11-/m1/s1
InChIKeyMNZRKPZPEDKGTN-LLVKDONJSA-N
MW401.49 g/mol
LogP2.61
Rot. Bonds5

About 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 59001482) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID59001482
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C19H23N5O3S/c1-11(10-25)20-17(27)13-14-15(24(23-13)19(2,3)4)21-18(28-14)22-16(26)12-8-6-5-7-9-12/h5-9,11,25H,10H2,1-4H3,(H,20,27)(H,21,22,26)/t11-/m1/s1
InChIKeyMNZRKPZPEDKGTN-LLVKDONJSA-N
XLogP2.61
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 59001482) is 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is C[C@H](CO)NC(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3)sc12.
What is the InChIKey of 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is MNZRKPZPEDKGTN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11(10-25)20-17(27)13-14-15(24(23-13)19(2,3)4)21-18(28-14)22-16(26)12-8-6-5-7-9-12/h5-9,11,25H,10H2,1-4H3,(H,20,27)(H,21,22,26)/t11-/m1/s1.
What are the key properties of 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 59001482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).