methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C18H24N2O3S2 — CID 55973372

IUPACmethyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C18H24N2O3S2/c1-10(2)6-12-8-24-17(15(12)18(22)23-5)20-14(21)7-13-9-25-16(19-13)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21)
InChIKeyZAWHACUHOSHODC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.49
Rot. Bonds7

About methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 55973372) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID55973372
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Namemethyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C18H24N2O3S2/c1-10(2)6-12-8-24-17(15(12)18(22)23-5)20-14(21)7-13-9-25-16(19-13)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21)
InChIKeyZAWHACUHOSHODC-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55760685
methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55645535
methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488614
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488542
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56501285
N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552
methyl 2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645594
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776327
1-[[3-methoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087775

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 55973372) is methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1csc(C(C)C)n1.
What is the InChIKey of methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ZAWHACUHOSHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-10(2)6-12-8-24-17(15(12)18(22)23-5)20-14(21)7-13-9-25-16(19-13)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21).
What are the key properties of methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 380.54 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55973372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).