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

C18H16ClN7O2S — CID 58925735

IUPACN-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1)N1CCOCC1
InChIInChI=1S/C18H16ClN7O2S/c19-12-4-2-1-3-11(12)13-9-20-10-26(13)16-14-15(23-24-16)21-17(29-14)22-18(27)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H2,21,22,23,24,27)
InChIKeyAEVROUBWEORPJY-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.39
Rot. Bonds3

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

N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide (PubChem CID 58925735) has the molecular formula C18H16ClN7O2S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide
PubChem CID58925735
Molecular FormulaC18H16ClN7O2S
Molecular Weight429.89 g/mol
Exact Mass429.08
IUPAC NameN-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1)N1CCOCC1
InChIInChI=1S/C18H16ClN7O2S/c19-12-4-2-1-3-11(12)13-9-20-10-26(13)16-14-15(23-24-16)21-17(29-14)22-18(27)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H2,21,22,23,24,27)
InChIKeyAEVROUBWEORPJY-UHFFFAOYSA-N
XLogP3.39
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide (CID 58925735) is N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1)N1CCOCC1.
What is the InChIKey of N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide?
The InChIKey is AEVROUBWEORPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O2S/c19-12-4-2-1-3-11(12)13-9-20-10-26(13)16-14-15(23-24-16)21-17(29-14)22-18(27)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H2,21,22,23,24,27).
What are the key properties of N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide?
N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide has a molecular weight of 429.89 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).