1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea

C24H23N5O2S — CID 59225705

IUPAC1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
SMILESO=C(NCCc1csc(Nc2ncccc2OCc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C24H23N5O2S/c30-23(27-19-10-5-2-6-11-19)26-15-13-20-17-32-24(28-20)29-22-21(12-7-14-25-22)31-16-18-8-3-1-4-9-18/h1-12,14,17H,13,15-16H2,(H,25,28,29)(H2,26,27,30)
InChIKeyKGMIFXFUPJJHRV-UHFFFAOYSA-N
MW445.55 g/mol
LogP5.22
Rot. Bonds9

About 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea

1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 59225705) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
PubChem CID59225705
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
SMILESO=C(NCCc1csc(Nc2ncccc2OCc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C24H23N5O2S/c30-23(27-19-10-5-2-6-11-19)26-15-13-20-17-32-24(28-20)29-22-21(12-7-14-25-22)31-16-18-8-3-1-4-9-18/h1-12,14,17H,13,15-16H2,(H,25,28,29)(H2,26,27,30)
InChIKeyKGMIFXFUPJJHRV-UHFFFAOYSA-N
XLogP5.22
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea with MolForge

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Related Compounds

methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate
CID 59225684
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen
CID 143452733
1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110350705
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea (CID 59225705) is 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea is O=C(NCCc1csc(Nc2ncccc2OCc2ccccc2)n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is KGMIFXFUPJJHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-23(27-19-10-5-2-6-11-19)26-15-13-20-17-32-24(28-20)29-22-21(12-7-14-25-22)31-16-18-8-3-1-4-9-18/h1-12,14,17H,13,15-16H2,(H,25,28,29)(H2,26,27,30).
What are the key properties of 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea?
1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 445.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 59225705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).