1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea

C21H24N6O2S — CID 56550022

IUPAC1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H24N6O2S/c28-21(25-17-3-4-19(24-14-17)27-10-12-29-13-11-27)23-7-1-2-20-26-18(15-30-20)16-5-8-22-9-6-16/h3-6,8-9,14-15H,1-2,7,10-13H2,(H2,23,25,28)
InChIKeyRHLUGXHPBDZHFH-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.19
Rot. Bonds7

About 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea

1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 56550022) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
PubChem CID56550022
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H24N6O2S/c28-21(25-17-3-4-19(24-14-17)27-10-12-29-13-11-27)23-7-1-2-20-26-18(15-30-20)16-5-8-22-9-6-16/h3-6,8-9,14-15H,1-2,7,10-13H2,(H2,23,25,28)
InChIKeyRHLUGXHPBDZHFH-UHFFFAOYSA-N
XLogP3.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
CID 56549783
3-(4-morpholin-4-ylphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]prop-2-enamide
CID 72690833
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea (CID 56550022) is 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea is O=C(NCCCc1nc(-c2ccncc2)cs1)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is RHLUGXHPBDZHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c28-21(25-17-3-4-19(24-14-17)27-10-12-29-13-11-27)23-7-1-2-20-26-18(15-30-20)16-5-8-22-9-6-16/h3-6,8-9,14-15H,1-2,7,10-13H2,(H2,23,25,28).
What are the key properties of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea?
1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 424.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 56550022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).