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

C16H14ClN5O3S — CID 89358814

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H14ClN5O3S/c17-9-3-5-10(6-4-9)25-7-11(23)18-13-12-14(22-21-13)19-16(26-12)20-15(24)8-1-2-8/h3-6,8H,1-2,7H2,(H3,18,19,20,21,22,23,24)
InChIKeyCTLHAKFUEYWURT-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.04
Rot. Bonds6

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

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 89358814) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID89358814
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C16H14ClN5O3S/c17-9-3-5-10(6-4-9)25-7-11(23)18-13-12-14(22-21-13)19-16(26-12)20-15(24)8-1-2-8/h3-6,8H,1-2,7H2,(H3,18,19,20,21,22,23,24)
InChIKeyCTLHAKFUEYWURT-UHFFFAOYSA-N
XLogP3.04
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 89358814) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(COc1ccc(Cl)cc1)Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is CTLHAKFUEYWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-9-3-5-10(6-4-9)25-7-11(23)18-13-12-14(22-21-13)19-16(26-12)20-15(24)8-1-2-8/h3-6,8H,1-2,7H2,(H3,18,19,20,21,22,23,24).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 391.84 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 89358814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).