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

C16H15N5O3S — CID 58925663

IUPACN-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H15N5O3S/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/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23)
InChIKeyMVMDDWHWRYVMDH-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.39
Rot. Bonds6

About N-[3-[(2-phenoxyacetyl)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 58925663) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925663
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H15N5O3S/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/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23)
InChIKeyMVMDDWHWRYVMDH-UHFFFAOYSA-N
XLogP2.39
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-[3-(iodomethyl)phenoxy]acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89347189
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
CID 58925856
N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328736
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
CID 58925660
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55688843
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970372
5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
CID 11594526
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
CID 11624136
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409475

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925663) is N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(COc1ccccc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is MVMDDWHWRYVMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/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/h1-5,9H,6-8H2,(H3,17,18,19,20,21,22,23).
What are the key properties of N-[3-[(2-phenoxyacetyl)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 357.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).