1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea

C22H25N7O2S — CID 67289547

IUPAC1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C3CCCC3)cs2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C22H25N7O2S/c1-2-25-22(31)28-19-8-16(21-27-18(12-32-21)13-5-3-4-6-13)17(11-26-19)14-7-15(10-24-9-14)20(30)29-23/h7-13H,2-6,23H2,1H3,(H,29,30)(H2,25,26,28,31)
InChIKeyJJIXTVIJOKZDEB-UHFFFAOYSA-N
MW451.56 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea

1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea (PubChem CID 67289547) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
PubChem CID67289547
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C3CCCC3)cs2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C22H25N7O2S/c1-2-25-22(31)28-19-8-16(21-27-18(12-32-21)13-5-3-4-6-13)17(11-26-19)14-7-15(10-24-9-14)20(30)29-23/h7-13H,2-6,23H2,1H3,(H,29,30)(H2,25,26,28,31)
InChIKeyJJIXTVIJOKZDEB-UHFFFAOYSA-N
XLogP3.67
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea with MolForge

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Related Compounds

1-[4-[4-(2,2-dimethyloxan-4-yl)-1,3-thiazol-2-yl]-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67290861
ethyl 4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-(5-ethoxycarbonyl-3-pyridinyl)-2-(ethylcarbamoylamino)pyridine-3-carboxylate
CID 67290122
1-[5-bromo-4-(4-cyclohexyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
CID 68641027
5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 25126792
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
ethyl 5-(5-ethoxycarbonyl-3-pyridinyl)-2-(ethylcarbamoylamino)-4-(4-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 67289700
1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea
CID 67289083
5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 143854950
methyl 5-[6-(cyclopropylmethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-3-carboxylate
CID 68641531
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-[2-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67289068
1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-morpholin-4-yl-2-pyridinyl]urea
CID 123264453
ethane;1-ethyl-3-[4-[4-(1-fluorocyclopropyl)-1,3-thiazol-2-yl]-5-[5-[(2-methylpropanoylamino)carbamoyl]-3-pyridinyl]-2-pyridinyl]urea;molecular hydrogen
CID 143855035

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea (CID 67289547) is 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C3CCCC3)cs2)c(-c2cncc(C(=O)NN)c2)cn1.
What is the InChIKey of 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea?
The InChIKey is JJIXTVIJOKZDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-2-25-22(31)28-19-8-16(21-27-18(12-32-21)13-5-3-4-6-13)17(11-26-19)14-7-15(10-24-9-14)20(30)29-23/h7-13H,2-6,23H2,1H3,(H,29,30)(H2,25,26,28,31).
What are the key properties of 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea?
1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea has a molecular weight of 451.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 67289547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).