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

C24H24N10O4S2 — CID 157155255

IUPACN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNc1[nH]nc2nc(NC(=O)C3CC3)sc12.O=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H15N5O3S.C8H9N5OS/c22-11(8-24-10-4-2-1-3-5-10)17-13-12-14(21-20-13)18-16(25-12)19-15(23)9-6-7-9;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23);3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyALSQANNMZWYTKY-UHFFFAOYSA-N
MW580.66 g/mol
LogP3.34
Rot. Bonds8

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

N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 157155255) has the molecular formula C24H24N10O4S2 and a molecular weight of 580.66 g/mol. Its IUPAC name is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID157155255
Molecular FormulaC24H24N10O4S2
Molecular Weight580.66 g/mol
Exact Mass580.14
IUPAC NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNc1[nH]nc2nc(NC(=O)C3CC3)sc12.O=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H15N5O3S.C8H9N5OS/c22-11(8-24-10-4-2-1-3-5-10)17-13-12-14(21-20-13)18-16(25-12)19-15(23)9-6-7-9;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23);3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyALSQANNMZWYTKY-UHFFFAOYSA-N
XLogP3.34
TPSA205.69 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500580.66
LogP ≤ 53.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 157155255) is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.O=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is ALSQANNMZWYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S.C8H9N5OS/c22-11(8-24-10-4-2-1-3-5-10)17-13-12-14(21-20-13)18-16(25-12)19-15(23)9-6-7-9;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23);3H,1-2H2,(H4,9,10,11,12,13,14).
What are the key properties of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 580.66 g/mol, XLogP of 3.34, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 157155255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).