N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide

C20H23N5O3S — CID 59001226

IUPACN-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
SMILESCC(C)(C)n1nc(C(=O)N2CC[C@H](O)C2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-20(2,3)25-16-15(14(23-25)18(28)24-10-9-13(26)11-24)29-19(21-16)22-17(27)12-7-5-4-6-8-12/h4-8,13,26H,9-11H2,1-3H3,(H,21,22,27)/t13-/m0/s1
InChIKeySAKKEBNYSOWRSY-ZDUSSCGKSA-N
MW413.50 g/mol
LogP2.71
Rot. Bonds3

About N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide

N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide (PubChem CID 59001226) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
PubChem CID59001226
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
SMILESCC(C)(C)n1nc(C(=O)N2CC[C@H](O)C2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-20(2,3)25-16-15(14(23-25)18(28)24-10-9-13(26)11-24)29-19(21-16)22-17(27)12-7-5-4-6-8-12/h4-8,13,26H,9-11H2,1-3H3,(H,21,22,27)/t13-/m0/s1
InChIKeySAKKEBNYSOWRSY-ZDUSSCGKSA-N
XLogP2.71
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001190
N-[1-tert-butyl-3-(3-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001442
N-[1-tert-butyl-3-(4-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001494
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001282
N-[1-tert-butyl-3-[(2S)-2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001440
5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001482
N-[1-tert-butyl-3-[(2S)-2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001575
5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001625
4-amino-N-[1-tert-butyl-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 59001598
N-[3-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1-tert-butylpyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001383
5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11698971
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(cyclopropylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001227

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide?
The IUPAC name of N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide (CID 59001226) is N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide.
What is the SMILES notation for N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide?
The canonical SMILES for N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide is CC(C)(C)n1nc(C(=O)N2CC[C@H](O)C2)c2sc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide?
The InChIKey is SAKKEBNYSOWRSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-20(2,3)25-16-15(14(23-25)18(28)24-10-9-13(26)11-24)29-19(21-16)22-17(27)12-7-5-4-6-8-12/h4-8,13,26H,9-11H2,1-3H3,(H,21,22,27)/t13-/m0/s1.
What are the key properties of N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide?
N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide is sourced from PubChem (CID 59001226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).