4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole

C32H56N2O2S2 — CID 59523074

IUPAC4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
SMILESCCCCCCCCCCCCOc1nc(C)sc1-c1sc(C)nc1OCCCCCCCCCCCC
InChIInChI=1S/C32H56N2O2S2/c1-5-7-9-11-13-15-17-19-21-23-25-35-31-29(37-27(3)33-31)30-32(34-28(4)38-30)36-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyWPHNFBRUPKKYEA-UHFFFAOYSA-N
MW564.95 g/mol
LogP11.48
Rot. Bonds25

About 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole

4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole (PubChem CID 59523074) has the molecular formula C32H56N2O2S2 and a molecular weight of 564.95 g/mol. Its IUPAC name is 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
PubChem CID59523074
Molecular FormulaC32H56N2O2S2
Molecular Weight564.95 g/mol
Exact Mass564.38
IUPAC Name4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
SMILESCCCCCCCCCCCCOc1nc(C)sc1-c1sc(C)nc1OCCCCCCCCCCCC
InChIInChI=1S/C32H56N2O2S2/c1-5-7-9-11-13-15-17-19-21-23-25-35-31-29(37-27(3)33-31)30-32(34-28(4)38-30)36-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyWPHNFBRUPKKYEA-UHFFFAOYSA-N
XLogP11.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.95
LogP ≤ 511.48
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-heptoxy-2-methyl-1,3-thiazole-5-carboxamide
CID 156544921
[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-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
CID 59523103
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
2,3-didodecoxyquinoxaline
CID 139934452
5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol
CID 91614591
3,8-dimethyl-6-octoxyphenanthridine
CID 59683845
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054

Frequently Asked Questions

What is the IUPAC name of 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole (CID 59523074) is 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole is CCCCCCCCCCCCOc1nc(C)sc1-c1sc(C)nc1OCCCCCCCCCCCC.
What is the InChIKey of 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole?
The InChIKey is WPHNFBRUPKKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O2S2/c1-5-7-9-11-13-15-17-19-21-23-25-35-31-29(37-27(3)33-31)30-32(34-28(4)38-30)36-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3.
What are the key properties of 4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole?
4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole has a molecular weight of 564.95 g/mol, XLogP of 11.48, 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-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 59523074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).