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

C19H16ClN7O2S — CID 58925816

IUPACN-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C19H16ClN7O2S/c1-9(28)22-11-4-5-12(13(20)6-11)14-7-21-8-27(14)17-15-16(25-26-17)23-19(30-15)24-18(29)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26,29)
InChIKeyKQIAHRATYWFWQV-UHFFFAOYSA-N
MW441.90 g/mol
LogP3.83
Rot. Bonds5

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

N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925816) has the molecular formula C19H16ClN7O2S and a molecular weight of 441.90 g/mol. Its IUPAC name is N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925816
Molecular FormulaC19H16ClN7O2S
Molecular Weight441.90 g/mol
Exact Mass441.08
IUPAC NameN-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C19H16ClN7O2S/c1-9(28)22-11-4-5-12(13(20)6-11)14-7-21-8-27(14)17-15-16(25-26-17)23-19(30-15)24-18(29)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26,29)
InChIKeyKQIAHRATYWFWQV-UHFFFAOYSA-N
XLogP3.83
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925830
1-N'-[3-chloro-4-[3-[5-(cyclopropanecarbonylamino)-1H-pyrazolo[5,4-d][1,3]thiazol-3-yl]imidazol-4-yl]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58925754
N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925759
N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925855
N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925859
N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925681
N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925737
N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide
CID 58925735
3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 58925803
N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89358816
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 160887198
N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-5,6-dihydro-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 136595573

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925816) is N-[3-[5-(4-acetamido-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-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is CC(=O)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1.
What is the InChIKey of N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is KQIAHRATYWFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O2S/c1-9(28)22-11-4-5-12(13(20)6-11)14-7-21-8-27(14)17-15-16(25-26-17)23-19(30-15)24-18(29)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,28)(H2,23,24,25,26,29).
What are the key properties of N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 441.90 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).