methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C16H18N2O4S — CID 87301133

IUPACmethyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cccc(OC)c2)sc1C(C)C
InChIInChI=1S/C16H18N2O4S/c1-9(2)13-12(15(20)22-4)17-16(23-13)18-14(19)10-6-5-7-11(8-10)21-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyUBVDTALROVKWRT-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 87301133) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID87301133
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namemethyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cccc(OC)c2)sc1C(C)C
InChIInChI=1S/C16H18N2O4S/c1-9(2)13-12(15(20)22-4)17-16(23-13)18-14(19)10-6-5-7-11(8-10)21-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyUBVDTALROVKWRT-UHFFFAOYSA-N
XLogP3.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate 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

methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 155961942
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
CID 3390334
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827806
methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 101067695
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 87301133) is methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2cccc(OC)c2)sc1C(C)C.
What is the InChIKey of methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is UBVDTALROVKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-9(2)13-12(15(20)22-4)17-16(23-13)18-14(19)10-6-5-7-11(8-10)21-3/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 87301133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).