N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C16H19N5O2S — CID 90531247

IUPACN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)C1CCC1
InChIInChI=1S/C16H19N5O2S/c22-14(10-21-7-2-6-17-21)20-8-5-12-13(9-20)24-16(18-12)19-15(23)11-3-1-4-11/h2,6-7,11H,1,3-5,8-10H2,(H,18,19,23)
InChIKeyIXNIILLOGRUQDO-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.66
Rot. Bonds4

About N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531247) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID90531247
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)C1CCC1
InChIInChI=1S/C16H19N5O2S/c22-14(10-21-7-2-6-17-21)20-8-5-12-13(9-20)24-16(18-12)19-15(23)11-3-1-4-11/h2,6-7,11H,1,3-5,8-10H2,(H,18,19,23)
InChIKeyIXNIILLOGRUQDO-UHFFFAOYSA-N
XLogP1.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531247) is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)C1CCC1.
What is the InChIKey of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is IXNIILLOGRUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-14(10-21-7-2-6-17-21)20-8-5-12-13(9-20)24-16(18-12)19-15(23)11-3-1-4-11/h2,6-7,11H,1,3-5,8-10H2,(H,18,19,23).
What are the key properties of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).