N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide

C15H13N5O2S — CID 58925692

IUPACN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(8-4-2-1-3-5-8)16-11-10-12(20-19-11)17-15(23-10)18-14(22)9-6-7-9/h1-5,9H,6-7H2,(H3,16,17,18,19,20,21,22)
InChIKeyFKBIYFYSKBUQFD-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.62
Rot. Bonds4

About N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide (PubChem CID 58925692) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
PubChem CID58925692
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1ccccc1
InChIInChI=1S/C15H13N5O2S/c21-13(8-4-2-1-3-5-8)16-11-10-12(20-19-11)17-15(23-10)18-14(22)9-6-7-9/h1-5,9H,6-7H2,(H3,16,17,18,19,20,21,22)
InChIKeyFKBIYFYSKBUQFD-UHFFFAOYSA-N
XLogP2.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
CID 58925856
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
CID 58925819
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
CID 58925660
N-[3-[[2-[3-(iodomethyl)phenoxy]acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89347189
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
N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 11602174
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide
CID 59974584
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide (CID 58925692) is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide is O=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1ccccc1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide?
The InChIKey is FKBIYFYSKBUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13(8-4-2-1-3-5-8)16-11-10-12(20-19-11)17-15(23-10)18-14(22)9-6-7-9/h1-5,9H,6-7H2,(H3,16,17,18,19,20,21,22).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide?
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide has a molecular weight of 327.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide is sourced from PubChem (CID 58925692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).