5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C21H21N5O3S — CID 59001625

IUPAC5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2ccco2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C21H21N5O3S/c1-21(2,3)26-17-16(15(25-26)19(28)22-12-14-10-7-11-29-14)30-20(23-17)24-18(27)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,28)(H,23,24,27)
InChIKeyRUMWUQXYFADITC-UHFFFAOYSA-N
MW423.50 g/mol
LogP4.02
Rot. Bonds5

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

5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 59001625) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID59001625
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2ccco2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C21H21N5O3S/c1-21(2,3)26-17-16(15(25-26)19(28)22-12-14-10-7-11-29-14)30-20(23-17)24-18(27)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,28)(H,23,24,27)
InChIKeyRUMWUQXYFADITC-UHFFFAOYSA-N
XLogP4.02
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
CID 100549501
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001282
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 59001625) is 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NCc2ccco2)c2sc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is RUMWUQXYFADITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-21(2,3)26-17-16(15(25-26)19(28)22-12-14-10-7-11-29-14)30-20(23-17)24-18(27)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,28)(H,23,24,27).
What are the key properties of 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-tert-butyl-N-(furan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 59001625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).