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

C17H17N5O3S — CID 58925771

IUPACN-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COCc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C17H17N5O3S/c23-12(9-25-8-10-4-2-1-3-5-10)18-14-13-15(22-21-14)19-17(26-13)20-16(24)11-6-7-11/h1-5,11H,6-9H2,(H3,18,19,20,21,22,23,24)
InChIKeyACWRSUXWHPADRZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.52
Rot. Bonds7

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

N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925771) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925771
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COCc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C17H17N5O3S/c23-12(9-25-8-10-4-2-1-3-5-10)18-14-13-15(22-21-14)19-17(26-13)20-16(24)11-6-7-11/h1-5,11H,6-9H2,(H3,18,19,20,21,22,23,24)
InChIKeyACWRSUXWHPADRZ-UHFFFAOYSA-N
XLogP2.52
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925771) is N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(COCc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is ACWRSUXWHPADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-12(9-25-8-10-4-2-1-3-5-10)18-14-13-15(22-21-14)19-17(26-13)20-16(24)11-6-7-11/h1-5,11H,6-9H2,(H3,18,19,20,21,22,23,24).
What are the key properties of N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenylmethoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).