N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

C19H25N5O4S — CID 42948093

IUPACN-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N5O4S/c1-13(19(25)21-17-5-4-16(28-3)10-18(17)24(26)27)23-8-6-22(7-9-23)11-15-12-29-14(2)20-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyYUDVXRRZCPDVFD-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.51
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 42948093) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID42948093
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N5O4S/c1-13(19(25)21-17-5-4-16(28-3)10-18(17)24(26)27)23-8-6-22(7-9-23)11-15-12-29-14(2)20-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyYUDVXRRZCPDVFD-UHFFFAOYSA-N
XLogP2.51
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46630887
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631289
(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 39985726
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 120771478
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 87019587
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CID 40741134
4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 30019503
1-[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504490
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
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4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 42948093) is N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is COc1ccc(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is YUDVXRRZCPDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-13(19(25)21-17-5-4-16(28-3)10-18(17)24(26)27)23-8-6-22(7-9-23)11-15-12-29-14(2)20-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 419.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42948093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).