methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

C16H18N2O4S2 — CID 141488377

IUPACmethyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C1(C)CC1
InChIInChI=1S/C16H18N2O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-15-17-13(16(2)8-9-16)12(23-15)14(19)22-3/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyQBHUPCLJNIOPNW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.09
Rot. Bonds5

About methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (PubChem CID 141488377) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
PubChem CID141488377
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Namemethyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C1(C)CC1
InChIInChI=1S/C16H18N2O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-15-17-13(16(2)8-9-16)12(23-15)14(19)22-3/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyQBHUPCLJNIOPNW-UHFFFAOYSA-N
XLogP3.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-cyclobutyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488366
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (CID 141488377) is methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C1(C)CC1.
What is the InChIKey of methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is QBHUPCLJNIOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-15-17-13(16(2)8-9-16)12(23-15)14(19)22-3/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141488377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).