(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide

C16H12N4O2S — CID 97462495

IUPAC(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESO=C(/C=C\c1cscn1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C16H12N4O2S/c21-15(7-4-13-10-23-11-19-13)20-12-2-5-14(6-3-12)22-16-17-8-1-9-18-16/h1-11H,(H,20,21)/b7-4-
InChIKeyRRXULOKWPMAYFS-DAXSKMNVSA-N
MW324.37 g/mol
LogP3.38
Rot. Bonds5

About (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide

(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 97462495) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID97462495
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESO=C(/C=C\c1cscn1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C16H12N4O2S/c21-15(7-4-13-10-23-11-19-13)20-12-2-5-14(6-3-12)22-16-17-8-1-9-18-16/h1-11H,(H,20,21)/b7-4-
InChIKeyRRXULOKWPMAYFS-DAXSKMNVSA-N
XLogP3.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97359898
N-(3-ethynylphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 71881380
(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 131247757
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-[4-(4-chlorophenoxy)phenyl]-3-pyrimidin-4-ylprop-2-enamide
CID 166224362
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
(E)-3-(1-benzyltriazol-4-yl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 26688818

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 97462495) is (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide is O=C(/C=C\c1cscn1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is RRXULOKWPMAYFS-DAXSKMNVSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-15(7-4-13-10-23-11-19-13)20-12-2-5-14(6-3-12)22-16-17-8-1-9-18-16/h1-11H,(H,20,21)/b7-4-.
What are the key properties of (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 324.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97462495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).