1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea

C24H26ClN5O3S — CID 27453540

IUPAC1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)cc1
InChIInChI=1S/C24H26ClN5O3S/c1-33-19-9-6-17(7-10-19)26-23(32)28-24-27-18(16-34-24)8-11-22(31)30-14-12-29(13-15-30)21-5-3-2-4-20(21)25/h2-7,9-10,16H,8,11-15H2,1H3,(H2,26,27,28,32)
InChIKeyJJVCKKBDSHKBNG-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.73
Rot. Bonds7

About 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea

1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea (PubChem CID 27453540) has the molecular formula C24H26ClN5O3S and a molecular weight of 500.02 g/mol. Its IUPAC name is 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
PubChem CID27453540
Molecular FormulaC24H26ClN5O3S
Molecular Weight500.02 g/mol
Exact Mass499.14
IUPAC Name1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)cc1
InChIInChI=1S/C24H26ClN5O3S/c1-33-19-9-6-17(7-10-19)26-23(32)28-24-27-18(16-34-24)8-11-22(31)30-14-12-29(13-15-30)21-5-3-2-4-20(21)25/h2-7,9-10,16H,8,11-15H2,1H3,(H2,26,27,28,32)
InChIKeyJJVCKKBDSHKBNG-UHFFFAOYSA-N
XLogP4.73
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]urea
CID 27453895
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 41158642
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
N-(3,5-dimethylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453781
N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881375
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(4-butylphenyl)-3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27453716
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea (CID 27453540) is 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)cc1.
What is the InChIKey of 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is JJVCKKBDSHKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S/c1-33-19-9-6-17(7-10-19)26-23(32)28-24-27-18(16-34-24)8-11-22(31)30-14-12-29(13-15-30)21-5-3-2-4-20(21)25/h2-7,9-10,16H,8,11-15H2,1H3,(H2,26,27,28,32).
What are the key properties of 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 500.02 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 27453540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).