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

C18H14N6O3S — CID 58925737

IUPACN-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cccc4c3OCO4)c2s1)C1CC1
InChIInChI=1S/C18H14N6O3S/c25-17(9-4-5-9)21-18-20-15-14(28-18)16(23-22-15)24-7-19-6-11(24)10-2-1-3-12-13(10)27-8-26-12/h1-3,6-7,9H,4-5,8H2,(H2,20,21,22,23,25)
InChIKeyHDYODECVYNSRCH-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.95
Rot. Bonds4

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

N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925737) has the molecular formula C18H14N6O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925737
Molecular FormulaC18H14N6O3S
Molecular Weight394.42 g/mol
Exact Mass394.08
IUPAC NameN-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cccc4c3OCO4)c2s1)C1CC1
InChIInChI=1S/C18H14N6O3S/c25-17(9-4-5-9)21-18-20-15-14(28-18)16(23-22-15)24-7-19-6-11(24)10-2-1-3-12-13(10)27-8-26-12/h1-3,6-7,9H,4-5,8H2,(H2,20,21,22,23,25)
InChIKeyHDYODECVYNSRCH-UHFFFAOYSA-N
XLogP2.95
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925737) is N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3cccc4c3OCO4)c2s1)C1CC1.
What is the InChIKey of N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is HDYODECVYNSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3S/c25-17(9-4-5-9)21-18-20-15-14(28-18)16(23-22-15)24-7-19-6-11(24)10-2-1-3-12-13(10)27-8-26-12/h1-3,6-7,9H,4-5,8H2,(H2,20,21,22,23,25).
What are the key properties of N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 394.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).