N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

C18H25ClN4O3S — CID 95788051

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(C3=NC[C@@H](C)S3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H25ClN4O3S/c1-12-10-20-18(27-12)23-6-4-22(5-7-23)11-17(24)21-14-9-15(25-2)13(19)8-16(14)26-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,24)/t12-/m1/s1
InChIKeyJHPOUROYUCIDGF-GFCCVEGCSA-N
MW412.94 g/mol
LogP2.40
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 95788051) has the molecular formula C18H25ClN4O3S and a molecular weight of 412.94 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID95788051
Molecular FormulaC18H25ClN4O3S
Molecular Weight412.94 g/mol
Exact Mass412.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(C3=NC[C@@H](C)S3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H25ClN4O3S/c1-12-10-20-18(27-12)23-6-4-22(5-7-23)11-17(24)21-14-9-15(25-2)13(19)8-16(14)26-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,24)/t12-/m1/s1
InChIKeyJHPOUROYUCIDGF-GFCCVEGCSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 24565785
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617573
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide
CID 55864288
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 6469434
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 98340125
2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 95788051) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(C3=NC[C@@H](C)S3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is JHPOUROYUCIDGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25ClN4O3S/c1-12-10-20-18(27-12)23-6-4-22(5-7-23)11-17(24)21-14-9-15(25-2)13(19)8-16(14)26-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,24)/t12-/m1/s1.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 412.94 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95788051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).