2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C19H26N2O4S2 — CID 58112072

IUPAC2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCc1nc(CCc2ccc(CCOC(=O)CNC(=O)OC(C)(C)C)s2)cs1
InChIInChI=1S/C19H26N2O4S2/c1-13-21-14(12-26-13)5-6-15-7-8-16(27-15)9-10-24-17(22)11-20-18(23)25-19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,23)
InChIKeyLMEKVLSWTVAMSR-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.91
Rot. Bonds8

About 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 58112072) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID58112072
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCc1nc(CCc2ccc(CCOC(=O)CNC(=O)OC(C)(C)C)s2)cs1
InChIInChI=1S/C19H26N2O4S2/c1-13-21-14(12-26-13)5-6-15-7-8-16(27-15)9-10-24-17(22)11-20-18(23)25-19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,23)
InChIKeyLMEKVLSWTVAMSR-UHFFFAOYSA-N
XLogP3.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

tert-butyl N-[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethylcarbamoylamino]carbamate
CID 58112146
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl N-[(E)-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107252707
tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 70987245
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
CID 87791564
tert-butyl N-[2-[[N'-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883812
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
tert-butyl N-[3-[[ethylamino-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methylidene]amino]propyl]carbamate;hydroiodide
CID 111886654
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 58112072) is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is Cc1nc(CCc2ccc(CCOC(=O)CNC(=O)OC(C)(C)C)s2)cs1.
What is the InChIKey of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is LMEKVLSWTVAMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-13-21-14(12-26-13)5-6-15-7-8-16(27-15)9-10-24-17(22)11-20-18(23)25-19(2,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,23).
What are the key properties of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 410.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 58112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).