N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C17H13ClN6OS — CID 58925855

IUPACN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3ccc(Cl)cc3)c2s1)C1CC1
InChIInChI=1S/C17H13ClN6OS/c18-11-5-3-9(4-6-11)12-7-19-8-24(12)15-13-14(22-23-15)20-17(26-13)21-16(25)10-1-2-10/h3-8,10H,1-2H2,(H2,20,21,22,23,25)
InChIKeyPQZQUHIXSXAAOX-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.87
Rot. Bonds4

About N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925855) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925855
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC NameN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3ccc(Cl)cc3)c2s1)C1CC1
InChIInChI=1S/C17H13ClN6OS/c18-11-5-3-9(4-6-11)12-7-19-8-24(12)15-13-14(22-23-15)20-17(26-13)21-16(25)10-1-2-10/h3-8,10H,1-2H2,(H2,20,21,22,23,25)
InChIKeyPQZQUHIXSXAAOX-UHFFFAOYSA-N
XLogP3.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925855) is N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3ccc(Cl)cc3)c2s1)C1CC1.
What is the InChIKey of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is PQZQUHIXSXAAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c18-11-5-3-9(4-6-11)12-7-19-8-24(12)15-13-14(22-23-15)20-17(26-13)21-16(25)10-1-2-10/h3-8,10H,1-2H2,(H2,20,21,22,23,25).
What are the key properties of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 384.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).