1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea

C25H32N6O2S — CID 90374480

IUPAC1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea
SMILESCN(C)CCCC1=CN(c2ccc(NC(=O)Nc3ccncc3)cc2)SC(N2CCOCC2)=C1
InChIInChI=1S/C25H32N6O2S/c1-29(2)13-3-4-20-18-24(30-14-16-33-17-15-30)34-31(19-20)23-7-5-21(6-8-23)27-25(32)28-22-9-11-26-12-10-22/h5-12,18-19H,3-4,13-17H2,1-2H3,(H2,26,27,28,32)
InChIKeyVKLUMXOOMHXWAB-UHFFFAOYSA-N
MW480.64 g/mol
LogP4.59
Rot. Bonds8

About 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea

1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea (PubChem CID 90374480) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea
PubChem CID90374480
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea
SMILESCN(C)CCCC1=CN(c2ccc(NC(=O)Nc3ccncc3)cc2)SC(N2CCOCC2)=C1
InChIInChI=1S/C25H32N6O2S/c1-29(2)13-3-4-20-18-24(30-14-16-33-17-15-30)34-31(19-20)23-7-5-21(6-8-23)27-25(32)28-22-9-11-26-12-10-22/h5-12,18-19H,3-4,13-17H2,1-2H3,(H2,26,27,28,32)
InChIKeyVKLUMXOOMHXWAB-UHFFFAOYSA-N
XLogP4.59
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea with MolForge

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Related Compounds

4-[[4-(4-butyl-6-morpholin-4-ylthiazin-2-yl)phenyl]carbamoylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 90374426
1-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-[4-(4-butyl-6-morpholin-4-ylthiazin-2-yl)phenyl]urea
CID 90374654
1-[4-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44600955
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
1-[4-[7-[2-[2-(dimethylamino)ethylamino]ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601448
1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[4-[4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(3-methylmorpholin-4-yl)thiazin-2-yl]phenyl]urea
CID 90374603
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
1-[4-(3,3-dimethylpiperazine-1-carbonyl)phenyl]-3-[4-[4-(2-methylmorpholin-4-yl)-6-morpholin-4-ylthiazin-2-yl]phenyl]urea
CID 90374588
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea (CID 90374480) is 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea is CN(C)CCCC1=CN(c2ccc(NC(=O)Nc3ccncc3)cc2)SC(N2CCOCC2)=C1.
What is the InChIKey of 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea?
The InChIKey is VKLUMXOOMHXWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-29(2)13-3-4-20-18-24(30-14-16-33-17-15-30)34-31(19-20)23-7-5-21(6-8-23)27-25(32)28-22-9-11-26-12-10-22/h5-12,18-19H,3-4,13-17H2,1-2H3,(H2,26,27,28,32).
What are the key properties of 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea?
1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea has a molecular weight of 480.64 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(dimethylamino)propyl]-6-morpholin-4-ylthiazin-2-yl]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 90374480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).