(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one

C23H22ClN3O3S — CID 73295739

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCCN(CC)c1ccc(-c2cn3c(=O)/c(=C/c4cc(Cl)c(O)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C23H22ClN3O3S/c1-4-26(5-2)16-8-6-15(7-9-16)18-13-27-22(29)20(31-23(27)25-18)12-14-10-17(24)21(28)19(11-14)30-3/h6-13,28H,4-5H2,1-3H3/b20-12-
InChIKeyYWBDQQZJGJYZOP-NDENLUEZSA-N
MW455.97 g/mol
LogP4.18
Rot. Bonds6

About (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73295739) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73295739
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCCN(CC)c1ccc(-c2cn3c(=O)/c(=C/c4cc(Cl)c(O)c(OC)c4)sc3n2)cc1
InChIInChI=1S/C23H22ClN3O3S/c1-4-26(5-2)16-8-6-15(7-9-16)18-13-27-22(29)20(31-23(27)25-18)12-14-10-17(24)21(28)19(11-14)30-3/h6-13,28H,4-5H2,1-3H3/b20-12-
InChIKeyYWBDQQZJGJYZOP-NDENLUEZSA-N
XLogP4.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (CID 73295739) is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is CCN(CC)c1ccc(-c2cn3c(=O)/c(=C/c4cc(Cl)c(O)c(OC)c4)sc3n2)cc1.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is YWBDQQZJGJYZOP-NDENLUEZSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c1-4-26(5-2)16-8-6-15(7-9-16)18-13-27-22(29)20(31-23(27)25-18)12-14-10-17(24)21(28)19(11-14)30-3/h6-13,28H,4-5H2,1-3H3/b20-12-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 455.97 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73295739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).