N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C18H13Cl2N5OS — CID 58925859

IUPACN-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cccc3-c3ccc(Cl)cc3Cl)c2s1)C1CC1
InChIInChI=1S/C18H13Cl2N5OS/c19-10-5-6-11(12(20)8-10)13-2-1-7-25(13)16-14-15(23-24-16)21-18(27-14)22-17(26)9-3-4-9/h1-2,5-9H,3-4H2,(H2,21,22,23,24,26)
InChIKeyDFQVMPIMCCVUJQ-UHFFFAOYSA-N
MW418.31 g/mol
LogP5.13
Rot. Bonds4

About N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925859) has the molecular formula C18H13Cl2N5OS and a molecular weight of 418.31 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925859
Molecular FormulaC18H13Cl2N5OS
Molecular Weight418.31 g/mol
Exact Mass417.02
IUPAC NameN-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cccc3-c3ccc(Cl)cc3Cl)c2s1)C1CC1
InChIInChI=1S/C18H13Cl2N5OS/c19-10-5-6-11(12(20)8-10)13-2-1-7-25(13)16-14-15(23-24-16)21-18(27-14)22-17(26)9-3-4-9/h1-2,5-9H,3-4H2,(H2,21,22,23,24,26)
InChIKeyDFQVMPIMCCVUJQ-UHFFFAOYSA-N
XLogP5.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925859) is N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cccc3-c3ccc(Cl)cc3Cl)c2s1)C1CC1.
What is the InChIKey of N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is DFQVMPIMCCVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5OS/c19-10-5-6-11(12(20)8-10)13-2-1-7-25(13)16-14-15(23-24-16)21-18(27-14)22-17(26)9-3-4-9/h1-2,5-9H,3-4H2,(H2,21,22,23,24,26).
What are the key properties of N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 418.31 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).