4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole

C30H52N2O2S2 — CID 59523103

IUPAC4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
SMILESCCCCCCCCCCCCOc1ncsc1-c1scnc1OCCCCCCCCCCCC
InChIInChI=1S/C30H52N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-27(35-25-31-29)28-30(32-26-36-28)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyZEBJHFFCDUZJFH-UHFFFAOYSA-N
MW536.89 g/mol
LogP10.87
Rot. Bonds25

About 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole

4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole (PubChem CID 59523103) has the molecular formula C30H52N2O2S2 and a molecular weight of 536.89 g/mol. Its IUPAC name is 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
PubChem CID59523103
Molecular FormulaC30H52N2O2S2
Molecular Weight536.89 g/mol
Exact Mass536.35
IUPAC Name4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
SMILESCCCCCCCCCCCCOc1ncsc1-c1scnc1OCCCCCCCCCCCC
InChIInChI=1S/C30H52N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-27(35-25-31-29)28-30(32-26-36-28)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyZEBJHFFCDUZJFH-UHFFFAOYSA-N
XLogP10.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.89
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
4-hexoxypyrimidin-5-amine
CID 79916301
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2,3-didodecoxyquinoxaline
CID 139934452
[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane
CID 59523108
4-hexoxy-1,3-benzothiazole
CID 54068927
3-chloro-4-pentoxy-1,2,5-thiadiazole
CID 10703512
2,3-didecoxypyridine
CID 151922374
4-chloro-2-pentoxy-1,3-thiazole
CID 83152735
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,2,4,5-tetrakis-decoxybenzene
CID 10556791

Frequently Asked Questions

What is the IUPAC name of 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole (CID 59523103) is 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole is CCCCCCCCCCCCOc1ncsc1-c1scnc1OCCCCCCCCCCCC.
What is the InChIKey of 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole?
The InChIKey is ZEBJHFFCDUZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-27(35-25-31-29)28-30(32-26-36-28)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3.
What are the key properties of 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole?
4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole has a molecular weight of 536.89 g/mol, XLogP of 10.87, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 59523103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).