1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea

C24H26ClN5O2S — CID 58857979

IUPAC1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCn1ccs/c1=N\C1CCN(C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C24H26ClN5O2S/c1-29-15-16-33-24(29)27-20-11-13-30(14-12-20)22(31)21(17-5-3-2-4-6-17)28-23(32)26-19-9-7-18(25)8-10-19/h2-10,15-16,20-21H,11-14H2,1H3,(H2,26,28,32)/b27-24-/t21-/m1/s1
InChIKeyZNMJWYGEEGKITL-LQUAGZSJSA-N
MW484.03 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 58857979) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID58857979
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCn1ccs/c1=N\C1CCN(C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)CC1
InChIInChI=1S/C24H26ClN5O2S/c1-29-15-16-33-24(29)27-20-11-13-30(14-12-20)22(31)21(17-5-3-2-4-6-17)28-23(32)26-19-9-7-18(25)8-10-19/h2-10,15-16,20-21H,11-14H2,1H3,(H2,26,28,32)/b27-24-/t21-/m1/s1
InChIKeyZNMJWYGEEGKITL-LQUAGZSJSA-N
XLogP4.19
TPSA78.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea (CID 58857979) is 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea is Cn1ccs/c1=N\C1CCN(C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is ZNMJWYGEEGKITL-LQUAGZSJSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-29-15-16-33-24(29)27-20-11-13-30(14-12-20)22(31)21(17-5-3-2-4-6-17)28-23(32)26-19-9-7-18(25)8-10-19/h2-10,15-16,20-21H,11-14H2,1H3,(H2,26,28,32)/b27-24-/t21-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea?
1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 484.03 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-2-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 58857979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).