2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol

C23H35N3O4S — CID 142851436

IUPAC2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol
SMILESCCN(CC)c1ccc(C2C(OC)C(c3sc(N(CC)CC)nc3O)C2OC)c(O)c1
InChIInChI=1S/C23H35N3O4S/c1-7-25(8-2)14-11-12-15(16(27)13-14)17-19(29-5)18(20(17)30-6)21-22(28)24-23(31-21)26(9-3)10-4/h11-13,17-20,27-28H,7-10H2,1-6H3
InChIKeyRARDBCYBJOKBIL-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.16
Rot. Bonds10

About 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol

2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol (PubChem CID 142851436) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol
PubChem CID142851436
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol
SMILESCCN(CC)c1ccc(C2C(OC)C(c3sc(N(CC)CC)nc3O)C2OC)c(O)c1
InChIInChI=1S/C23H35N3O4S/c1-7-25(8-2)14-11-12-15(16(27)13-14)17-19(29-5)18(20(17)30-6)21-22(28)24-23(31-21)26(9-3)10-4/h11-13,17-20,27-28H,7-10H2,1-6H3
InChIKeyRARDBCYBJOKBIL-UHFFFAOYSA-N
XLogP4.16
TPSA78.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(Dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol
CID 107700922

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol (CID 142851436) is 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol is CCN(CC)c1ccc(C2C(OC)C(c3sc(N(CC)CC)nc3O)C2OC)c(O)c1.
What is the InChIKey of 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol?
The InChIKey is RARDBCYBJOKBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-7-25(8-2)14-11-12-15(16(27)13-14)17-19(29-5)18(20(17)30-6)21-22(28)24-23(31-21)26(9-3)10-4/h11-13,17-20,27-28H,7-10H2,1-6H3.
What are the key properties of 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol?
2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol has a molecular weight of 449.62 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 142851436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).