N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide

C20H22ClN5O2S — CID 59001282

IUPACN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
SMILESCC(C)(C)n1nc(C(=O)N2CCCC2)c2sc(NC(=O)c3cccc(Cl)c3)nc21
InChIInChI=1S/C20H22ClN5O2S/c1-20(2,3)26-16-15(14(24-26)18(28)25-9-4-5-10-25)29-19(22-16)23-17(27)12-7-6-8-13(21)11-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,22,23,27)
InChIKeyYCOCUCYPWQPDIK-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.39
Rot. Bonds3

About N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide

N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide (PubChem CID 59001282) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
PubChem CID59001282
Molecular FormulaC20H22ClN5O2S
Molecular Weight431.95 g/mol
Exact Mass431.12
IUPAC NameN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
SMILESCC(C)(C)n1nc(C(=O)N2CCCC2)c2sc(NC(=O)c3cccc(Cl)c3)nc21
InChIInChI=1S/C20H22ClN5O2S/c1-20(2,3)26-16-15(14(24-26)18(28)25-9-4-5-10-25)29-19(22-16)23-17(27)12-7-6-8-13(21)11-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,22,23,27)
InChIKeyYCOCUCYPWQPDIK-UHFFFAOYSA-N
XLogP4.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001284
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(2-hydroxyethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001551
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(cyclopropylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001227
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001419
N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 59001226
3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 1468320
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-methyl-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001542
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-[(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-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001482
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

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide?
The IUPAC name of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide (CID 59001282) is N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide?
The canonical SMILES for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide is CC(C)(C)n1nc(C(=O)N2CCCC2)c2sc(NC(=O)c3cccc(Cl)c3)nc21.
What is the InChIKey of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide?
The InChIKey is YCOCUCYPWQPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S/c1-20(2,3)26-16-15(14(24-26)18(28)25-9-4-5-10-25)29-19(22-16)23-17(27)12-7-6-8-13(21)11-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,22,23,27).
What are the key properties of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide?
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide has a molecular weight of 431.95 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide is sourced from PubChem (CID 59001282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).