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

C14H12N6O2S — CID 58925856

IUPACN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1cccnc1
InChIInChI=1S/C14H12N6O2S/c21-12(7-3-4-7)18-14-17-11-9(23-14)10(19-20-11)16-13(22)8-2-1-5-15-6-8/h1-2,5-7H,3-4H2,(H3,16,17,18,19,20,21,22)
InChIKeyYAZUMXNWTYOZIU-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.02
Rot. Bonds4

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

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide (PubChem CID 58925856) has the molecular formula C14H12N6O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
PubChem CID58925856
Molecular FormulaC14H12N6O2S
Molecular Weight328.36 g/mol
Exact Mass328.07
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1cccnc1
InChIInChI=1S/C14H12N6O2S/c21-12(7-3-4-7)18-14-17-11-9(23-14)10(19-20-11)16-13(22)8-2-1-5-15-6-8/h1-2,5-7H,3-4H2,(H3,16,17,18,19,20,21,22)
InChIKeyYAZUMXNWTYOZIU-UHFFFAOYSA-N
XLogP2.02
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
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)cyclopropanecarboxamide
CID 58925660
N-[3-[[2-[3-(iodomethyl)phenoxy]acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89347189
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 4178548
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-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525644
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 11602174
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide (CID 58925856) is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide is O=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)c1cccnc1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is YAZUMXNWTYOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2S/c21-12(7-3-4-7)18-14-17-11-9(23-14)10(19-20-11)16-13(22)8-2-1-5-15-6-8/h1-2,5-7H,3-4H2,(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]pyridine-3-carboxamide?
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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]pyridine-3-carboxamide is sourced from PubChem (CID 58925856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).