N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C23H26ClN7O4S2 — CID 89358816

IUPACN-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCn1nc(-n2cncc2-c2ccc(OCS(=O)(=O)NC(C)(C)C)cc2Cl)c2sc(NC(=O)C3CC3)nc21
InChIInChI=1S/C23H26ClN7O4S2/c1-23(2,3)29-37(33,34)12-35-14-7-8-15(16(24)9-14)17-10-25-11-31(17)20-18-19(30(4)28-20)26-22(36-18)27-21(32)13-5-6-13/h7-11,13,29H,5-6,12H2,1-4H3,(H,26,27,32)
InChIKeyTYAWSGCFPDDUIH-UHFFFAOYSA-N
MW564.09 g/mol
LogP3.94
Rot. Bonds8

About N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 89358816) has the molecular formula C23H26ClN7O4S2 and a molecular weight of 564.09 g/mol. Its IUPAC name is N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID89358816
Molecular FormulaC23H26ClN7O4S2
Molecular Weight564.09 g/mol
Exact Mass563.12
IUPAC NameN-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCn1nc(-n2cncc2-c2ccc(OCS(=O)(=O)NC(C)(C)C)cc2Cl)c2sc(NC(=O)C3CC3)nc21
InChIInChI=1S/C23H26ClN7O4S2/c1-23(2,3)29-37(33,34)12-35-14-7-8-15(16(24)9-14)17-10-25-11-31(17)20-18-19(30(4)28-20)26-22(36-18)27-21(32)13-5-6-13/h7-11,13,29H,5-6,12H2,1-4H3,(H,26,27,32)
InChIKeyTYAWSGCFPDDUIH-UHFFFAOYSA-N
XLogP3.94
TPSA133.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.09
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 89358816) is N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is Cn1nc(-n2cncc2-c2ccc(OCS(=O)(=O)NC(C)(C)C)cc2Cl)c2sc(NC(=O)C3CC3)nc21.
What is the InChIKey of N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is TYAWSGCFPDDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O4S2/c1-23(2,3)29-37(33,34)12-35-14-7-8-15(16(24)9-14)17-10-25-11-31(17)20-18-19(30(4)28-20)26-22(36-18)27-21(32)13-5-6-13/h7-11,13,29H,5-6,12H2,1-4H3,(H,26,27,32).
What are the key properties of N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 564.09 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 89358816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).