N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C19H18ClN7O2S — CID 58925670

IUPACN-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNCCOc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C19H18ClN7O2S/c20-13-7-11(29-6-5-21)3-4-12(13)14-8-22-9-27(14)17-15-16(25-26-17)23-19(30-15)24-18(28)10-1-2-10/h3-4,7-10H,1-2,5-6,21H2,(H2,23,24,25,26,28)
InChIKeyCMXITLOZNOISKO-UHFFFAOYSA-N
MW443.92 g/mol
LogP3.21
Rot. Bonds7

About N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925670) has the molecular formula C19H18ClN7O2S and a molecular weight of 443.92 g/mol. Its IUPAC name is N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925670
Molecular FormulaC19H18ClN7O2S
Molecular Weight443.92 g/mol
Exact Mass443.09
IUPAC NameN-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNCCOc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C19H18ClN7O2S/c20-13-7-11(29-6-5-21)3-4-12(13)14-8-22-9-27(14)17-15-16(25-26-17)23-19(30-15)24-18(28)10-1-2-10/h3-4,7-10H,1-2,5-6,21H2,(H2,23,24,25,26,28)
InChIKeyCMXITLOZNOISKO-UHFFFAOYSA-N
XLogP3.21
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925670) is N-[3-[5-[4-(2-aminoethoxy)-2-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-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is NCCOc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1.
What is the InChIKey of N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is CMXITLOZNOISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2S/c20-13-7-11(29-6-5-21)3-4-12(13)14-8-22-9-27(14)17-15-16(25-26-17)23-19(30-15)24-18(28)10-1-2-10/h3-4,7-10H,1-2,5-6,21H2,(H2,23,24,25,26,28).
What are the key properties of N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 443.92 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).