N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C17H15ClN6OS — CID 136595573

IUPACN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(NC1Nc2[nH]nc(-n3cncc3-c3ccc(Cl)cc3)c2S1)C1CC1
InChIInChI=1S/C17H15ClN6OS/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/h3-8,10,17H,1-2H2,(H,21,25)(H2,20,22,23)
InChIKeyHIFCGXFFMVJOMZ-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.24
Rot. Bonds4

About N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 136595573) has the molecular formula C17H15ClN6OS and a molecular weight of 386.87 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID136595573
Molecular FormulaC17H15ClN6OS
Molecular Weight386.87 g/mol
Exact Mass386.07
IUPAC NameN-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(NC1Nc2[nH]nc(-n3cncc3-c3ccc(Cl)cc3)c2S1)C1CC1
InChIInChI=1S/C17H15ClN6OS/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/h3-8,10,17H,1-2H2,(H,21,25)(H2,20,22,23)
InChIKeyHIFCGXFFMVJOMZ-UHFFFAOYSA-N
XLogP3.24
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.24
H-Bond Donors ≤ 53
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]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 136595573) is N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-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]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-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]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is HIFCGXFFMVJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6OS/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/h3-8,10,17H,1-2H2,(H,21,25)(H2,20,22,23).
What are the key properties of N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 386.87 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 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]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 136595573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).