1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea

C24H21N5O2S — CID 118029427

IUPAC1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4)s3)cc2)nc1
InChIInChI=1S/C24H21N5O2S/c30-23(27-18-5-2-1-3-6-18)28-19-9-12-22(25-15-19)31-20-10-7-17(8-11-20)21-16-26-24(32-21)29-13-4-14-29/h1-3,5-12,15-16H,4,13-14H2,(H2,27,28,30)
InChIKeyPYMIBUJDTFMOKF-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.85
Rot. Bonds6

About 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea

1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea (PubChem CID 118029427) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea
PubChem CID118029427
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4)s3)cc2)nc1
InChIInChI=1S/C24H21N5O2S/c30-23(27-18-5-2-1-3-6-18)28-19-9-12-22(25-15-19)31-20-10-7-17(8-11-20)21-16-26-24(32-21)29-13-4-14-29/h1-3,5-12,15-16H,4,13-14H2,(H2,27,28,30)
InChIKeyPYMIBUJDTFMOKF-UHFFFAOYSA-N
XLogP5.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea with MolForge

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Related Compounds

1-[2-(1-oxidopyridin-1-ium-4-yl)-5-(trifluoromethyl)phenyl]-3-[6-[4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea
CID 136949554
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-(trifluoromethyl)-3-pyridinyl]-3-[6-[4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea
CID 118680072
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
N-(6-phenoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 56799313
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea (CID 118029427) is 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4)s3)cc2)nc1.
What is the InChIKey of 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea?
The InChIKey is PYMIBUJDTFMOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c30-23(27-18-5-2-1-3-6-18)28-19-9-12-22(25-15-19)31-20-10-7-17(8-11-20)21-16-26-24(32-21)29-13-4-14-29/h1-3,5-12,15-16H,4,13-14H2,(H2,27,28,30).
What are the key properties of 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea?
1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea has a molecular weight of 443.53 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 118029427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).