5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

C11H13N5O3S — CID 11594526

IUPAC5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
SMILESO=C(NCCO)c1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C11H13N5O3S/c17-4-3-12-10(19)6-7-8(16-15-6)13-11(20-7)14-9(18)5-1-2-5/h5,17H,1-4H2,(H,12,19)(H2,13,14,15,16,18)
InChIKeyYGZCQHFVFCGOKL-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.09
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide (PubChem CID 11594526) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
PubChem CID11594526
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
SMILESO=C(NCCO)c1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C11H13N5O3S/c17-4-3-12-10(19)6-7-8(16-15-6)13-11(20-7)14-9(18)5-1-2-5/h5,17H,1-4H2,(H,12,19)(H2,13,14,15,16,18)
InChIKeyYGZCQHFVFCGOKL-UHFFFAOYSA-N
XLogP0.09
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide (CID 11594526) is 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide is O=C(NCCO)c1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is YGZCQHFVFCGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c17-4-3-12-10(19)6-7-8(16-15-6)13-11(20-7)14-9(18)5-1-2-5/h5,17H,1-4H2,(H,12,19)(H2,13,14,15,16,18).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 11594526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).