2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide

C24H27ClN4O2S — CID 55762515

IUPAC2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C24H27ClN4O2S/c1-17-23(32-22(26-17)16-31-21-9-5-19(25)6-10-21)24(30)27-20-7-3-18(4-8-20)15-29-13-11-28(2)12-14-29/h3-10H,11-16H2,1-2H3,(H,27,30)
InChIKeyWVYWNWKUCBOXIR-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.68
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55762515) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55762515
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC Name2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C24H27ClN4O2S/c1-17-23(32-22(26-17)16-31-21-9-5-19(25)6-10-21)24(30)27-20-7-3-18(4-8-20)15-29-13-11-28(2)12-14-29/h3-10H,11-16H2,1-2H3,(H,27,30)
InChIKeyWVYWNWKUCBOXIR-UHFFFAOYSA-N
XLogP4.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenoxy)methyl]-4-methyl-N-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 55811830
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892330
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanone
CID 24550779
2-[(4-chlorophenoxy)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55448038
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 110374899
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46655489
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55817726
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
2-[(4-tert-butylphenoxy)methyl]-N-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35271114
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 46646474
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide (CID 55762515) is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WVYWNWKUCBOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c1-17-23(32-22(26-17)16-31-21-9-5-19(25)6-10-21)24(30)27-20-7-3-18(4-8-20)15-29-13-11-28(2)12-14-29/h3-10H,11-16H2,1-2H3,(H,27,30).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 471.03 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55762515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).