methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate

C19H20N4O3S — CID 55788913

IUPACmethyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C19H20N4O3S/c1-22-12-15(10-20-22)18-21-16(13-27-18)19(25)23(9-8-17(24)26-2)11-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyHESHAFBZRDCRFC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.75
Rot. Bonds7

About methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate

methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate (PubChem CID 55788913) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
PubChem CID55788913
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Namemethyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C19H20N4O3S/c1-22-12-15(10-20-22)18-21-16(13-27-18)19(25)23(9-8-17(24)26-2)11-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyHESHAFBZRDCRFC-UHFFFAOYSA-N
XLogP2.75
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 55786551
methyl 2-[(1-methylpyrazol-4-yl)methyl-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]acetate
CID 155947334
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86963371
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate (CID 55788913) is methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)c1csc(-c2cnn(C)c2)n1.
What is the InChIKey of methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate?
The InChIKey is HESHAFBZRDCRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22-12-15(10-20-22)18-21-16(13-27-18)19(25)23(9-8-17(24)26-2)11-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3.
What are the key properties of methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate?
methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate has a molecular weight of 384.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 55788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).