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

C8H9N5OS — CID 58925660

IUPACN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
SMILESNc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C8H9N5OS/c9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyWNMKIHLXLOBGQP-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.95
Rot. Bonds2

About N-(3-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 (PubChem CID 58925660) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-(3-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
PubChem CID58925660
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
SMILESNc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C8H9N5OS/c9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyWNMKIHLXLOBGQP-UHFFFAOYSA-N
XLogP0.95
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 11602174
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
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-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 160887198
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-[[2-[3-(iodomethyl)phenoxy]acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89347189
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
CID 42100024
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
CID 82194091

Frequently Asked Questions

What is the IUPAC name of N-(3-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 (CID 58925660) is N-(3-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?
The canonical SMILES for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide is 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?
The InChIKey is WNMKIHLXLOBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h3H,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-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 58925660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).