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

C17H22N6O2S — CID 90529469

IUPAC1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)NC1CCCC1
InChIInChI=1S/C17H22N6O2S/c24-15(11-23-8-3-7-18-23)22-9-6-13-14(10-22)26-17(20-13)21-16(25)19-12-4-1-2-5-12/h3,7-8,12H,1-2,4-6,9-11H2,(H2,19,20,21,25)
InChIKeyDXDORNOWHQZUFA-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.99
Rot. Bonds4

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

1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529469) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID90529469
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)NC1CCCC1
InChIInChI=1S/C17H22N6O2S/c24-15(11-23-8-3-7-18-23)22-9-6-13-14(10-22)26-17(20-13)21-16(25)19-12-4-1-2-5-12/h3,7-8,12H,1-2,4-6,9-11H2,(H2,19,20,21,25)
InChIKeyDXDORNOWHQZUFA-UHFFFAOYSA-N
XLogP1.99
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529469) is 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is O=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is DXDORNOWHQZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c24-15(11-23-8-3-7-18-23)22-9-6-13-14(10-22)26-17(20-13)21-16(25)19-12-4-1-2-5-12/h3,7-8,12H,1-2,4-6,9-11H2,(H2,19,20,21,25).
What are the key properties of 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 374.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).