4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

C22H23ClN4O2S — CID 30868815

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C22H23ClN4O2S/c1-29-20-5-3-2-4-18(20)25-22(28)27-12-10-26(11-13-27)14-21-24-19(15-30-21)16-6-8-17(23)9-7-16/h2-9,15H,10-14H2,1H3,(H,25,28)
InChIKeyUKRANRLMERHWDH-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.82
Rot. Bonds5

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 30868815) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID30868815
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C22H23ClN4O2S/c1-29-20-5-3-2-4-18(20)25-22(28)27-12-10-26(11-13-27)14-21-24-19(15-30-21)16-6-8-17(23)9-7-16/h2-9,15H,10-14H2,1H3,(H,25,28)
InChIKeyUKRANRLMERHWDH-UHFFFAOYSA-N
XLogP4.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447635
N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447638
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (4-chloro-phenyl)-amide
CID 3223662
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 44532763
1-[4-(4-Chloro-3-methylphenyl)-1,3-thiazol-2-yl]-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea;hydrochloride
CID 44533284
4-(3-Methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
CID 73350334
(Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-hydroxybut-2-enenitrile
CID 135415413
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[5-(diethylamino)-2-ethoxyphenyl]-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(2-methylprop-1-enyl)pyridin-2-one
CID 155561191
(2S)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 168288776
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 689163

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 30868815) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UKRANRLMERHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-29-20-5-3-2-4-18(20)25-22(28)27-12-10-26(11-13-27)14-21-24-19(15-30-21)16-6-8-17(23)9-7-16/h2-9,15H,10-14H2,1H3,(H,25,28).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 30868815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).