(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine

C21H18N4OS — CID 53350002

IUPAC(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ncccn3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N4OS/c1-15-4-8-17(9-5-15)25-19(16-6-10-18(26-2)11-7-16)14-27-21(25)24-20-22-12-3-13-23-20/h3-14H,1-2H3/b24-21-
InChIKeyGPOALYSTLGRMSC-FLFQWRMESA-N
MW374.47 g/mol
LogP4.55
Rot. Bonds4

About (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine

(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine (PubChem CID 53350002) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
PubChem CID53350002
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ncccn3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N4OS/c1-15-4-8-17(9-5-15)25-19(16-6-10-18(26-2)11-7-16)14-27-21(25)24-20-22-12-3-13-23-20/h3-14H,1-2H3/b24-21-
InChIKeyGPOALYSTLGRMSC-FLFQWRMESA-N
XLogP4.55
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-4-(4-nitrophenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
CID 98172711
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2806537
N-(1-adamantyl)-3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 166642372
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
N,3-bis(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812771
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656
N-[3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide;hydrobromide
CID 44789503
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18812844
[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
CID 69115337
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine (CID 53350002) is (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ncccn3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine?
The InChIKey is GPOALYSTLGRMSC-FLFQWRMESA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-4-8-17(9-5-15)25-19(16-6-10-18(26-2)11-7-16)14-27-21(25)24-20-22-12-3-13-23-20/h3-14H,1-2H3/b24-21-.
What are the key properties of (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine?
(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine has a molecular weight of 374.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 53350002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).