4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C19H23N5O4S — CID 49448796

IUPAC4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H23N5O4S/c1-13-18(29-12-20-13)19(26)21-14-7-9-23(10-8-14)11-17(25)22(2)15-3-5-16(6-4-15)24(27)28/h3-6,12,14H,7-11H2,1-2H3,(H,21,26)
InChIKeyIOKHPMBATNZPPC-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.22
Rot. Bonds6

About 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 49448796) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID49448796
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H23N5O4S/c1-13-18(29-12-20-13)19(26)21-14-7-9-23(10-8-14)11-17(25)22(2)15-3-5-16(6-4-15)24(27)28/h3-6,12,14H,7-11H2,1-2H3,(H,21,26)
InChIKeyIOKHPMBATNZPPC-UHFFFAOYSA-N
XLogP2.22
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425371
2,4-dimethyl-N-[4-(piperidin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 23609425
N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448762
4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49449220
N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51129256
Piperazine, 1-(4-fluorophenyl)-4-[(4-methyl-5-thiazolyl)carbonyl]-
CID 5297317
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 4245480
2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9166689
2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9166690
N-(4-fluoro-3-nitrophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25673350
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42242238
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42242239

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 49448796) is 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IOKHPMBATNZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-13-18(29-12-20-13)19(26)21-14-7-9-23(10-8-14)11-17(25)22(2)15-3-5-16(6-4-15)24(27)28/h3-6,12,14H,7-11H2,1-2H3,(H,21,26).
What are the key properties of 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).