2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C18H23N5O3S — CID 56503754

IUPAC2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1
InChIInChI=1S/C18H23N5O3S/c1-11(2)17(26)21-18-20-14(10-27-18)8-15(24)22-23-16(25)9-19-13-6-4-12(3)5-7-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,24)(H,23,25)(H,20,21,26)
InChIKeyHSZGTODYMMECOL-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.85
Rot. Bonds7

About 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 56503754) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID56503754
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1
InChIInChI=1S/C18H23N5O3S/c1-11(2)17(26)21-18-20-14(10-27-18)8-15(24)22-23-16(25)9-19-13-6-4-12(3)5-7-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,24)(H,23,25)(H,20,21,26)
InChIKeyHSZGTODYMMECOL-UHFFFAOYSA-N
XLogP1.85
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
N-[4-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55789254
N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029922
2-methyl-2-[4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697209
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47067702
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 56503754) is 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is Cc1ccc(NCC(=O)NNC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is HSZGTODYMMECOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11(2)17(26)21-18-20-14(10-27-18)8-15(24)22-23-16(25)9-19-13-6-4-12(3)5-7-13/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,24)(H,23,25)(H,20,21,26).
What are the key properties of 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 389.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 56503754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).