5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide

C26H36N2O2S2 — CID 146331694

IUPAC5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCCCCCCCOc1ccccc1)c1ccc(C2=NCCS2)s1
InChIInChI=1S/C26H36N2O2S2/c29-25(23-16-17-24(32-23)26-28-19-21-31-26)27-18-12-7-5-3-1-2-4-6-8-13-20-30-22-14-10-9-11-15-22/h9-11,14-17H,1-8,12-13,18-21H2,(H,27,29)
InChIKeySMCTWQIEADUSIU-UHFFFAOYSA-N
MW472.72 g/mol
LogP6.95
Rot. Bonds16

About 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide

5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide (PubChem CID 146331694) has the molecular formula C26H36N2O2S2 and a molecular weight of 472.72 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide
PubChem CID146331694
Molecular FormulaC26H36N2O2S2
Molecular Weight472.72 g/mol
Exact Mass472.22
IUPAC Name5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCCCCCCCOc1ccccc1)c1ccc(C2=NCCS2)s1
InChIInChI=1S/C26H36N2O2S2/c29-25(23-16-17-24(32-23)26-28-19-21-31-26)27-18-12-7-5-3-1-2-4-6-8-13-20-30-22-14-10-9-11-15-22/h9-11,14-17H,1-8,12-13,18-21H2,(H,27,29)
InChIKeySMCTWQIEADUSIU-UHFFFAOYSA-N
XLogP6.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 146331459
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 117093443
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
3-[2-[2-[2-[2-[3-[[5-[5-[5-[5-[5-[5-[3-[2-[2-[2-[2-(3-azaniumylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbonyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylazanium
CID 102380404
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 117082676
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
5-[5-(1,1-difluoroprop-2-enyl)-1-prop-2-enylpyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 162559923
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide (CID 146331694) is 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide is O=C(NCCCCCCCCCCCCOc1ccccc1)c1ccc(C2=NCCS2)s1.
What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide?
The InChIKey is SMCTWQIEADUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2S2/c29-25(23-16-17-24(32-23)26-28-19-21-31-26)27-18-12-7-5-3-1-2-4-6-8-13-20-30-22-14-10-9-11-15-22/h9-11,14-17H,1-8,12-13,18-21H2,(H,27,29).
What are the key properties of 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide?
5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide has a molecular weight of 472.72 g/mol, XLogP of 6.95, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide is sourced from PubChem (CID 146331694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).